Titanium dioxide

Identification

Name
Titanium dioxide
Accession Number
DB09536
Type
Small Molecule
Groups
Approved
Description

Titanium dioxide, also known as titanium(IV) oxide or titania, is the naturally occurring oxide of titanium, chemical formula TiO2. When used as a pigment, it is called titanium white, Pigment White 6 (PW6), or CI 77891. Generally it is sourced from ilmenite, rutile and anatase.

Structure
Thumb
Synonyms
Not Available
External IDs
C.I. 77891 / CI 77891 / CI-77891 / E 171 / E-171 / INS NO.171 / INS-171 / NSC-15204 / NSC-200C
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
AV3712501 Mineral Sunscreen SPF 18Cream7 g/100gTopicalThe Hain Celestial Group2006-03-01Not applicableUs
Sunblock Lotion SPF 15Lotion5.6 %TopicalNorwood Packaging Ltd.Not applicableNot applicableCanada
Sunblock Lotion SPF 30Lotion10.4 %TopicalNorwood Packaging Ltd.Not applicableNot applicableCanada
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
3 Concept Eyes Glossing Waterful Foundation Milk IvoryCream1.44 g/40gTopicalNanda Co., Ltd.2013-08-01Not applicableUs
3 Concept Eyes Glossing Waterful Foundation Natural IvoryCream1.44 g/40gTopicalNanda Co., Ltd.2013-08-01Not applicableUs
3 Concept Eyes Glossing Waterful Foundation Nude BeigeCream1.44 g/40gTopicalNanda Co., Ltd.2013-08-01Not applicableUs
3 Concept Eyes Glossing Waterful Foundation Soft BeigeCream1.44 g/40gTopicalNanda Co., Ltd.2013-08-01Not applicableUs
3 Concept Eyes Honey Face Chiffon Fluid 001Cream3.71 mg/40mLTopicalNanda Co., Ltd.2013-08-01Not applicableUs
3 Concept Eyes Honey Face Chiffon Fluid 002Cream3.71 mg/40mLTopicalNanda Co., Ltd.2013-08-01Not applicableUs
3 Concept Eyes Liquid Foundation Ivory BeigeCream2.78 mg/30mLTopicalNanda Co., Ltd.2013-08-01Not applicableUs
3 Concept Eyes Liquid Foundation Lace BeigeCream2.78 mg/30mLTopicalNanda Co., Ltd.2013-08-01Not applicableUs
3 Concept Eyes Slim Fit Pact Natural IvoryPowder.57 g/8gTopicalNanda Co., Ltd.2013-08-01Not applicableUs
3 Concept Eyes Slim Fit Pact Soft BeigePowder.57 g/8gTopicalNanda Co., Ltd.2013-08-01Not applicableUs
Unapproved/Other Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Beaute de Cell Perfect Sun-Shield SPF 50 PACream3.85 g/100mLTopicalDracell Cosmetics Co., Ltd2016-02-04Not applicableUs
JNH Dr. Intensive Plus UV ProtectorCream1.5 g/50gTopicalDaeduck Lab Co., Ltd.2012-08-24Not applicableUs
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
01 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
02 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
03 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
04 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
05 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
06 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
07 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
08 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
09 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
10 Balancing Foundation SPF 15Titanium dioxide (1.45 mg/.5mL) + Octinoxate (3.75 mg/.5mL) + Octisalate (2.5 mg/.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-17Us
Categories
UNII
15FIX9V2JP
CAS number
13463-67-7
Weight
Average: 79.865
Monoisotopic: 79.937771
Chemical Formula
O2Ti
InChI Key
GWEVSGVZZGPLCZ-UHFFFAOYSA-N
InChI
InChI=1S/2O.Ti
IUPAC Name
dioxotitanium
SMILES
O=[Ti]=O

Pharmacology

Indication

In the pharmaceutical industry, titanium dioxide is used in most sunscreens to block UVA and UVB rays, similar to zinc oxide. It is also commonly used as pigment for pharmaceutical products such as gelatin capsules, tablet coatings and syrups.

Structured Indications
Pharmacodynamics

As Sunscreen agent : protect the skin from sunburn and erythema by absorbing or blocking ultraviolet radiation. Biocompatible Materials : Synthetic or natural materials, other than drugs, that are used to replace or repair any body tissues or bodily function.

Mechanism of action

Diminish the penetration of ultraviolet (UV) light through the epidermis by absorbing UV radiation within a specific wavelength range. The amount and wavelength of UV radiation absorbed are affected by the molecular structure of the sunscreen agent.

TargetActionsOrganism
UMacrophage receptor MARCONot AvailableHuman
Absorption

When male and female rats were fed a diet containing titanium dioxide (100 g/kg) for a period of about 32 days, a significant retention of titanium of 0.06 and 0.11 mg/kg wet weight was found only in the muscles; no retention was observed in the liver, spleen, kidney, bone, plasma, or erythrocytes

Volume of distribution

Six hours after titanium dioxide was administered to rats through IV injection at 250 mg/kg body weight, the highest concentration appeared in the liver; after 24 hours, the highest concentration was detected in the celiac lymph nodes, which filter the lymph from the liver.

Protein binding

The researchers/ determined blood levels of titanium dioxide (anatase) following oral ingestion of titanium-dioxide capsules and/or powder in six adult men (24-66 years of age). Titanium dioxide was absorbed by the gastrointestinal tract in a size dependent manner: smaller particles (0.16 um) were more readily absorbed than larger ones (0.38 um). Before the experiment, the background blood levels of titanium dioxide in these men ranged from approximately 6 to 18 ug/L. Blood levels reached up to approximately 50 ug/L or 100 ug/L between 4 and 12 hours after intake of 23 mg or 46 mg titanium dioxide, respectively

Metabolism

Rats were intraperitoneal injected with 1.60 g/100 g body wt of TiO(2) in saline solution. Organs (liver, spleen, lung) were processed for histological evaluation. Reactive oxygen species (ROS) in alveolar macrophages obtained by bronchoalveolar lavage (BAL) were evaluated using the nitroblue tetrazolium test and quantitative evaluation by digital image analysis. The histological analysis of organs revealed the presence of titanium in the parenchyma of these organs with no associated tissue damage. Although in lung alveolar macrophages TiO(2) induced a significant rise in ROS generation, it failed to cause tissue alteration. This finding may be attributed to an adaptive response.

Route of elimination

The kinetics of TiO2 elimination in the rat lung following its deposition after 7 hr exposure at 10 and 50 mg/cu m were determined for periods up to 140 days.The retention half-time was 14 days for the first clearance phase and 88 days thereafter.

Half life

The kinetics of TiO2 elimination in the rat lung following its deposition after 7 hr exposure at 10 and 50 mg/cu m were determined for periods up to 140 days...The retention half-time was 14 days for the first clearance phase and 88 days thereafter.

Clearance

The clearance of titanium dioxide from the lungs was studied in rats after inhalation of 15 or 100 mg/cu m. The average median aerodynamic diameter of the titanium dioxide particles was 1.48 um. After a single exposure, about 40-45% of the deposited particles were cleared from the lung in 25 days. At 15 mg/cu m, 0.7% was found in the hilar lymph nodes indicating penetration of titanium dioxide particles from alveoli into the lymphatic system and partial clearance by the lymphatic route. The clearance rate was similar after intra-tracheal administration of titanium dioxide. At an exposure of 100 mg/cu m, the clearance rate decreased drastically. /Other researchers/ demonstrated the presence of titanium dioxide in the lymphatic systems of 3 workers employed in processing titanium dioxide pigments.

Toxicity

Rat - LD50 Intratracheal (>100ug/kg ) Effects: Structural or functional changes in bronchi and trachea. There is inadequate evidence in humans for the carcinogenicity of titanium dioxide. Cancer in experimental animals: There is sufficient evidence in experimental animals for the carcinogenicity of titanium dioxide. Overall evaluation: Titanium dioxide is possibly carcinogenic to humans (Group 2B).

Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
Porfimer sodiumTitanium dioxide may increase the photosensitizing activities of Porfimer sodium.Approved, Investigational
VerteporfinTitanium dioxide may increase the photosensitizing activities of Verteporfin.Approved, Investigational
Food Interactions
Not Available

References

Synthesis Reference
Not Available
General References
  1. Olmedo DG, Tasat DR, Guglielmotti MB, Cabrini RL: Effect of titanium dioxide on the oxidative metabolism of alveolar macrophages: an experimental study in rats. J Biomed Mater Res A. 2005 May 1;73(2):142-9. [PubMed:15742364]
  2. Wikipedia [Link]
  3. Drugs.com [Link]
  4. ChemIDplus [Link]
  5. Pubchem [Link]
External Links
KEGG Compound
C13409
ChemSpider
24256
ChEBI
32234
ATC Codes
Not Available
AHFS Codes
Not Available
PDB Entries
Not Available
FDA label
Not Available
MSDS
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingSupportive CareDermatologic Complications / Neoplasms, Malignant1
3CompletedSupportive CareDermatologic Complications / Unspecified Adult Solid Tumor, Protocol Specific1
4CompletedNot AvailableProphylaxis of Sunburn1
4CompletedTreatmentMelasma1
Not AvailableCompletedPreventionPigmentation From Visible Light1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
SolutionTopical
CreamTopical1.44 g/40g
CreamTopical3.71 mg/40mL
CreamTopical2.78 mg/30mL
PowderTopical.57 g/8g
LipstickTopical.02 g/4.5g
LipstickTopical.11 g/4.5g
LipstickTopical.15 g/4.5g
LipstickTopical.16 g/4.5g
LipstickTopical.17 g/4.5g
LipstickTopical.18 g/4.5g
LipstickTopical.03 g/4.5g
LipstickTopical.22 g/4.5g
LipstickTopical.13 g/4.5g
LipstickTopical.09 g/4.5g
LipstickTopical.08 g/1.1g
LipstickTopical.01 g/1.1g
LipstickTopical.26 g/1.1g
LipstickTopical.23 g/1.1g
LipstickTopical.22 g/1.1g
LipstickTopical.04 g/1.1g
PowderTopical.07 g/5g
PowderTopical.31 g/5g
PowderTopical.37 g/5g
PowderTopical.12 g/5g
PowderTopical.67 g/8g
PowderTopical.68 g/8g
PowderTopical.47 g/8g
PowderTopical.52 g/8g
LiquidTopical.16 g/6g
LiquidTopical.06 g/6g
LiquidTopical.19 g/6g
LiquidTopical.65 g/5mL
LipstickTopical.02 g/3.5g
LipstickTopical.12 g/3.5g
LipstickTopical.05 g/3.5g
LipstickTopical.17 g/3.5g
LipstickTopical.04 g/3.5g
LipstickTopical.07 g/3.5g
LipstickTopical.2 g/3.5g
LipstickTopical.1 g/3.5g
LipstickTopical.15 g/3.5g
LipstickTopical.29 g/3.5g
LipstickTopical.14 g/3.5g
LipstickTopical.13 g/3.5g
LipstickTopical.014 g/3.5g
LipstickTopical.01 g/3.5g
PowderTopical1.03 g/11g
PowderTopical1.63 g/11g
LipstickTopical.11 g/g
LipstickTopical.129 g/g
LipstickTopical.03 g/g
LipstickTopical.097 g/g
LipstickTopical.107 g/g
LipstickTopical.005 g/g
LipstickTopical.081 g/g
PowderTopical.12 g/25g
StickTopical.47 g/10g
StickTopical.4 g/10g
StickTopical.85 mg/.085g
StickTopical.015 g/.085g
StickTopical.017 g/.085g
StickTopical.005 g/.085g
PowderTopical.42 g/3.5g
PowderTopical.3 g/3.5g
PowderTopical.23 g/3.5g
PowderTopical.36 g/3.5g
CreamTopical78.6 mg/mL
CreamTopical121.6 mg/mL
CreamTopical77.2 mg/mL
CreamTopical5 %
LotionTopical2.4 %
CreamTopical1.8 %
PowderTopical1.7 g/12g
CreamTopical2.46 g/30mL
StickTopical8.8 %
KitTopical
LiquidTopical8.9 %
PowderTopical9.8 g/100g
LiquidTopical45 mL/100mL
CreamTopical6.4 %
CreamTopical8 %
CreamTopical7.3 %
CreamTopical7.6 %
PowderTopical6.9 g/100g
CreamTopical1.72 g/50g
CreamTopical2.6 g/50g
CreamTopical115.2 mg/mL
CreamTopical.0934 g/g
CreamCutaneous4.64 mL/50mL
CreamTopical40.25 mg/mL
LiquidTopical7.5 %
CreamTopical4.4 %
CreamTopical18.8 mg/mL
CreamTopical4.8 %
CreamTopical2.5 %
PowderTopical
StickTopical2.5 %
LotionTopical2.2 %
LotionTopical6.48 %
LotionTopical8.1 %
LotionTopical9.72 %
LotionTopical6 g/100mL
PowderTopical10 g/100g
CreamTopical8.46 g/100g
AerosolTopical
CreamTopical170 mg/mL
LotionTopical60 mg/mL
LiquidTopical33.2 mg/mL
LiquidTopical110 mg/mL
LiquidTopical62 mg/mL
PowderTopical25 g/100g
PoulticeTopical
PowderTopical12 g/100g
PowderTopical1.2 g/10g
CreamTopical.3 g/2g
PowderTopical20 g/100g
CreamTopical3.42 g/30mL
CreamTopical47 mg/mL
CreamTopical3.85 g/100mL
LiquidTopical0.038 mg
CreamTopical3.25 g/35mL
CreamTopical3.69 g/40g
PowderTopical24 g/100g
CreamTopical4.33 %
LotionTopical10.145 %
CreamTopical69 mg/mL
CreamTopical6.45 g/100g
CreamTopical6.4 g/100g
CreamTopical12.1 mg/100mL
PowderTopical6 g/100g
PowderTopical8.4 g/100g
SprayTopical
CreamTopical15.8 g
CreamTopical19.8 g
LiquidTopical6.2 g
LiquidTopical5.7 g
LiquidTopical7.7 g
LiquidTopical8.2 g
LiquidTopical8.4 g
LiquidTopical7.5 g
PowderTopical7.3 g
PowderTopical7 g
PowderTopical6.2 g
PowderTopical11.1 g
PowderTopical5.6 g
LiquidTopical
PowderTopical.89 g/5g
PowderTopical.98 g/5g
PowderTopical.55 g/5g
PowderTopical.67 g/5g
PowderTopical.28 g/5g
CreamTopical120 mg/mL
CreamTopical8.5 g/100mL
CreamTopical3.65 mL/100mL
CreamTopical36.5 mg/mL
StickTopical
LotionTopical10.157 g/100g
CreamTopical5.8 %
PasteTopical5.8 g/100g
CreamTopical11.2 %
CreamTopical8.8 %
CreamTopical8.2 %
CreamTopical14.85 %
CreamTopical9.9 %
PowderTopical15 g/100g
StickTopical10.0 %
StickTopical4 %
StickTopical4 g/100g
StickTopical7.5 %
LiquidTopical47 mg/mL
LiquidTopical20 mg/mL
LiquidTopical25 mg/mL
CreamTopical70 mg/mL
CreamTopical68 mg/mL
CreamTopical63 mg/mL
CreamTopical23 mg/mL
EmulsionTopical62 mg/mL
LiquidTopical19 mg/mL
EmulsionTopical30 mg/mL
CreamTopical84 mg/mL
SolutionTopical18.9 mg/mL
LiquidTopical18.9 mg/mL
LiquidTopical81 mg/mL
LiquidTopical70 mg/mL
SolutionTopical70 mg/mL
SolutionTopical81 mg/mL
PasteTopical684 mg/12g
PasteTopical1.896 g/12g
CreamTopical.65625 g/31.25g
CreamTopical656 mg/31.25g
CreamTopical3960 mg/40g
StickTopical1.31 g/8g
PowderTopical12.1 %
CreamTopical24 %
CreamTopical13.8 %
PowderTopical4.2 %
CreamTopical2 mL/100mL
CreamTopical20 %
SuspensionTopical11.8 %
SuspensionTopical8.5 %
SuspensionTopical4.0 %
CreamTopical1.52 g/6.5g
LipstickTopical1.8 g/100g
CreamTopical9 g/100g
CreamTopical4.9 mg/.1g
CreamTopical49 mg/g
GelTopical7.8 mL/100mL
CreamTopical3.225 %
LotionTopical2 %
LotionTopical10 mg/mL
LotionTopical104 mg/mL
LotionTopical.97 mL/100mL
LotionTopical68 mg/mL
CreamTopical30 mg/g
LotionTopical61 mg/mL
PowderTopical3 %
CreamTopical71 uL/mL
LotionTopical210 mg/2mL
PowderTopical5.53 g/100g
CreamTopical21.9 mg/mL
CreamTopical1 mg/mL
CreamTopical1.38 g/50mL
CreamTopical2.905 g/100mL
PowderTopical5.8 %
PowderTopical.494 g/13g
LiquidTopical5 mL/100mL
PowderTopical2.2 g/100g
LiquidTopical4.2 mL/100mL
LiquidTopical1 mL/100mL
PowderTopical4 g/100g
CreamCutaneous4.2 mg/100mg
LiquidCutaneous
CreamTopical4.05 g/50g
LotionTopical2.14 g/60mL
LotionTopical5 g/100g
CreamTopical9 %
LotionTopical2 mL/100mL
StickTopical.04 g/g
CreamCutaneous3.5 g/35g
PowderTopical3.7 %
LiquidTopical3.5 %
LotionTopical7.2 %
LotionTopical12 %
SuspensionTopical3 %
StickTopical5 g
LotionTopical53.9 mg/mL
LiquidTopical97 mg/mL
LiquidTopical83 mg/mL
LiquidTopical84 mg/mL
LiquidTopical78 mg/mL
LotionTopical4.03 g
CreamTopical5.6601 g/100mL
CreamTopical4.2 g/100mL
CreamTopical10 mL/100mL
OilTopical5 g/100mL
CreamTopical5 g/100mL
CreamTopical7.5 g/100mL
CreamTopical1.35 g/45g
CreamTopical3 g/100g
CreamTopical3.15 g/45g
CreamTopical7 g/100g
CreamTopical3.168 g/45g
CreamTopical6.8 %
CreamTopical3.4 %
PasteTopical4.2 g/100g
CreamCutaneous4.01 mL/35mL
CreamCutaneous2.35 g/10g
PowderCutaneous2.35 g/10g
PowderCutaneous
StickTopical20 mg/g
LiquidTopical4 %
EmulsionTopical10.4 %
EmulsionTopical5.68 %
EmulsionTopical6.37 %
PowderTopical1.96 g/100g
CreamTopical20.78 %
CreamTopical31.6 mg/mL
StickCutaneous
CreamTopical2.886 g/60g
CreamCutaneous1.77 mL/100mL
CreamTopical765 mg/9g
CreamCutaneous4.48 g/45g
PowderTopical5 %
CreamTopical54 mg/mL
LotionTopical25.8 mg/mL
LotionTopical37.4 mg/mL
CreamTopical74 mg/mL
EmulsionTopical
CreamTopical.38 mg/45mL
CreamTopical121.6 mg/g
CreamTopical1.5 g/50g
Cream, augmentedTopical
LotionTopical110 mg/mL
LotionTopical78.5 mg/mL
LotionTopical150 mg/mL
Spray, suspensionTopical7.8 g/100mL
LiquidTopical5 %
PowderTopical1.179423 g/9g
PowderTopical.895536 g/9g
PowderTopical.9558 g/12g
PowderTopical13.1 g/100g
CreamTopical86.4 mg/mL
CreamTopical106.6 mg/mL
LotionTopical5.5 mL/50mL
CreamTopical1.26 g/50mL
CreamTopical11 %
CreamTopical2.4 g/30g
PowderTopical.05 g/g
PasteTopical
PowderTopical.55 g/11g
Lotion / shampooTopical
LotionTopical8 %
EmulsionTopical2.8 mL/40mL
CreamTopical2.522 g/25mL
LiquidTopical2.31 g/20mL
LiquidTopical3.09 g/30mL
CreamTopical115 mL/L
CreamTopical153.2 mg/mL
CreamTopical154.3 mg/mL
CreamTopical151.4 mg/mL
CreamTopical5.35 g/100mL
PowderTopical3.0 %
PowderTopical100 mg/g
LiquidTopical32.6 mg/mL
CreamTopical61 mg/g
CreamTopical12.1 g/100g
PowderCutaneous.92 g/13g
CreamTopical11.8 g
CreamTopical5.269 g/100mL
SuspensionTopical
LotionTopical33.9 mg/mL
SprayTopical4.9 %
EmulsionTopical1.8 mL/30mL
LotionTopical2.7 %
CreamTopical19.9 mL/100mL
CreamTopical11.5 mg/mL
LotionTopical15.3 mg/mL
CreamTopical80 mg/mL
LotionTopical70 mg/mL
CreamTopical2 %
LotionTopical.04601 g/mL
LotionTopical4.3 mL/100mL
CreamTopical3.8 g/100g
CreamTopical16 g/100g
PowderTopical7 g/100g
CreamCutaneous7.5 mg/g
CreamCutaneous3.77 mL/50mL
CreamCutaneous9.3 mg/g
CreamCutaneous3.25 mL/35mL
PowderCutaneous.98 g/11g
CreamCutaneous
CreamCutaneous3.5 mL/50mL
CreamCutaneous3.57 mL/50mL
CreamTopical2.28 g/10g
CreamTopical4 %
CreamCutaneous1.19 mL/35mL
CreamTopical12 %
CreamCutaneous1.36 mL/50mL
LiquidTopical1.98 g/17g
CreamTopical5.85 g/50mL
CreamTopical.1175 1/50mL
CreamCutaneous1.45 mL/50mL
CreamTopical95 mg/g
CreamTopical18.8 mg/g
LiquidTopical24 mg/mL
LiquidTopical66 mg/mL
PowderTopical75 mg/g
LipstickTopical
PowderTopical41.1 mg/g
LotionTopical28 mg/mL
LotionTopical29 mg/mL
LiquidTopical32 mg/mL
LotionTopical9.1 %
LotionTopical7.25 %
CreamTopical77 mg/mL
LotionTopical7.6 mL/100mL
PowderTopical2.1 g/100g
LiquidTopical2.4 mL/100mL
CreamCutaneous1.18 mL/60mL
CreamCutaneous2.1 mL/60mL
EmulsionTopical.66 g/g
EmulsionTopical85 mg/g
LotionTopical22 %
CreamTopical.8 g/35mL
CreamTopical.87 mL/35mL
CreamTopical3.95 g/100g
LotionTopical102 mg/mL
LotionTopical76.5 mg/mL
LotionCutaneous
CreamTopical2.94 g/70mL
PowderTopical2.06 g/12g
CreamTopical39 mg/mL
EmulsionTopical.93 mL/30mL
EmulsionTopical31 mg/mL
LotionTopical.2625 mg/2.5mL
CreamTopical7.2 g
CreamTopical1.52 g/7g
CreamCutaneous1.68 g/12g
PowderCutaneous1.68 g/12g
CreamTopical3.26 g/35mL
PowderTopical8.0 %
CreamTopical16 %
CreamTopical.02 g/20g
LotionTopical4 mL/100mL
LotionTopical4.7 mL/100mL
PowderTopical.24 g/10g
PowderTopical2.38 g/10g
PowderTopical.07 g/g
PowderTopical.21 g/g
PowderTopical.358 g/8.33g
PowderTopical.38 g/4.25g
PowderTopical.72 g/8g
PowderTopical.387 g/4.3g
CreamTopical6 mg/100mL
CreamTopical2.6 mg/100mL
CreamTopical2.96 mg/100mL
CreamCutaneous2.59 g/50g
PowderTopical.84 g/12g
CreamTopical1.4 mL/100mL
CreamTopical956.25 mg/4.25g
LotionTopical4 g/100g
CreamCutaneous2.32 g/25g
GelTopical
CreamTopical12.5 %
PowderTopical2 %
CreamTopical11.5 %
LiquidTopical7.4 %
LiquidTopical5.2 %
StickTopical4.8 %
LiquidTopical6 %
LiquidTopical8.60 %
PowderTopical11.00 %
PowderTopical14.3 %
PowderTopical3.5 %
PasteTopical4 mg/mL
CreamTopical52.8 mg/mL
CreamTopical61.6 mg/mL
CreamTopical9.1 %
LotionTopical5.6 g/100mL
CreamTopical100 mg/mL
LotionTopical40 uL/mL
CreamTopical6.96 %
LotionTopical2.866 g/44.4mL
LotionTopical5 g/100mL
PowderTopical.54 g/12g
PowderTopical864 mg/12g
PowderTopical540 mg/12g
PowderTopical22.7 %
PowderTopical24.6 %
CreamTopical10.7 %
EmulsionTopical12.7 %
EmulsionTopical11.45 %
EmulsionTopical11.1 %
CreamTopical1488 mg/36.3g
LiquidTopical13.9 %
StickTopical250 mg/10g
StickTopical410 mg/10g
StickTopical.6 g/9g
StickTopical.55 g/9g
CreamTopical.04 g/5.5g
CreamTopical
LotionTopical6.9 g/100mL
PowderTopical3 g/100g
Aerosol, foamTopical
CreamTopical9.7 %
CreamTopical8.86 %
CreamTopical3.1 g
PowderTopical.7 g/10g
Lotion / shampooTopical80 mg/mL
LotionTopical8.46 %
Spray, suspensionTopical
Lotion / shampooTopical120 mg/g
StickTopical170 mg/g
Aerosol, sprayTopical
PowderTopical4.5 %
LotionTopical1 g/66mL
LotionTopical1 g/88mL
LotionTopical1 g/.88mL
CreamTopical12 mg/mL
LiquidTopical4.7 mL/100mL
SpongeTopical
CreamTopical8.1 %
CreamTopical9.72 %
LotionTopical10 %
LotionTopical5.67 %
CreamTopical6.1 %
CreamTopical3.9 %
CreamTopical8.9 %
CreamTopical6.5 %
LotionTopical5.6 %
LotionTopical10.4 %
Aerosol; lotionTopical4.86 %
LotionTopical4.1 %
Aerosol; lotionTopical3.9 %
LotionTopical4.82 %
CreamCutaneous1.6 mL/30mL
CreamTopical25 mg/mL
PowderTopical6.3 g/100g
CreamTopical17.5 %
PasteTopical17 %
EmulsionTopical29.2 mg/mL
LiquidTopical29.2 mg/mL
CreamTopical3.5 g/100g
CreamTopical4.65 g/100g
CreamCutaneous.81 g/45g
LotionTopical4 %
LiquidTopical5 g/100mL
PatchTopical.001 g/30g
PowderTopical2.381 g/10g
CreamTopical8.3 g/100g
LotionTopical
LotionTopical45 mg/mL
EmulsionTopical68 mg
CreamTopical1.5 g
CreamTopical19 mg/mL
LotionTopical4.8 %
LotionTopical6.83 %
LotionTopical4000 mg/50mL
LotionTopical81 mg/mL
OintmentTopical
LotionTopical6.8 %
LotionTopical6 %
StickTopical24.15 g/100g
LiquidTopical156.752 mg/mL
StickTopical.002 g/3.5g
CreamTopical4.3 %
CreamTopical25 g/100g
CreamTopical3.8 g/100mL
CreamTopical2.05 mg/100mL
CreamTopical1.02 mg/50mL
CreamTopical.5 mL/100mL
PowderTopical2 g/100g
LotionTopical1.809 mL/30mL
LotionTopical.08 g/g
Kit
Kit
Kit
LotionTopical82 mg/mL
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP-0.7ChemAxon
pKa (Strongest Basic)-7.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.89 m3·mol-1ChemAxon
Polarizability4.19 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of inorganic compounds known as transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.
Kingdom
Inorganic compounds
Super Class
Mixed metal/non-metal compounds
Class
Transition metal organides
Sub Class
Transition metal oxides
Direct Parent
Transition metal oxides
Alternative Parents
Inorganic salts / Inorganic oxides
Substituents
Transition metal oxide / Inorganic oxide / Inorganic salt
Molecular Framework
Not Available
External Descriptors
titanium molecular entity (CHEBI:32234)

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Pattern recognition receptor (PRR). Binds Gram-positive and Gram-negative bacteria.
Specific Function
Scavenger receptor activity
Gene Name
MARCO
Uniprot ID
Q9UEW3
Uniprot Name
Macrophage receptor MARCO
Molecular Weight
52657.905 Da
References
  1. Thakur SA, Hamilton R Jr, Pikkarainen T, Holian A: Differential binding of inorganic particles to MARCO. Toxicol Sci. 2009 Jan;107(1):238-46. doi: 10.1093/toxsci/kfn210. Epub 2008 Oct 4. [PubMed:18836211]

Drug created on November 30, 2015 12:10 / Updated on October 02, 2017 06:16