Identification

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Name
Indocyanine green acid form
Commonly known or available as Indocyanine green
Accession Number
DB09374
Type
Small Molecule
Groups
Approved, Investigational
Description

Indocyanine Green is a water soluble, tricarbocyanine dye with a peak spectral absorption at 800 nm. The chemical name for Indocyanine Green is 1 H-Benz[e]indolium, 2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e] indol-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-,hydroxide, inner salt, sodium salt. Indocyanine Green for Injection USP has a pH of approximately 6.5 when reconstituted. Each vial of Indocyanine Green for Injection USP contains 25 mg of Indocyanine Green as a sterile lyophilized powder with no more than 5% sodium iodide.

Structure
Thumb
Synonyms
Not Available
External IDs
Crysta-lyn 551522 / NK 5078 / NK-5078
Product Ingredients
IngredientUNIICASInChI Key
Indocyanine greenIX6J1063HV3599-32-4MOFVSTNWEDAEEK-UHFFFAOYSA-M
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
IC-GreenInjection, powder, lyophilized, for solution25 mg/1IntravenousNovadaq Technologies, Inc.2013-09-15Not applicableUs
IC-GreenPowder25 mgIntravenousAkorn Inc1994-12-31Not applicableCanada
IC-GreenInjection, powder, lyophilized, for solution25 mg/1IntravenousNovadaq Technologies, Inc.2013-09-25Not applicableUs
IC-GreenKit25 mg/1IntravenousAkorn2007-09-01Not applicableUs
Ic-greenInjection, powder, lyophilized, for solution25 mg/1IntravenousNovadaq Technologies, Inc.2015-03-06Not applicableUs
Indocyanine Green for Injection KitKit; Powder, for solutionIntravenousDiagnostic Green GmbHNot applicableNot applicableCanada
Indocyanine Green for Injection KitKit; Powder, for solutionIntravenousDiagnostic Green GmbH2019-06-11Not applicableCanada
Indocyanine Green for Injection, USPPowder, for solutionIntravenousDiagnostic Green GmbH2019-06-11Not applicableCanada
PINPOINT KitKit25 mg/1Interstitial; IntravenousNovadaq Technologies Inc2018-11-21Not applicableUs
PINPOINT Lymphatics KitKit25 mg/1Interstitial; IntravenousNovadaq Technologies Inc2018-11-21Not applicableUs
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

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  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Generic Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Indocyanine greenInjection, powder, lyophilized, for solution25 mg/1IntravenousNovadaq Technologies, Inc.2011-12-01Not applicableUs
Indocyanine greenKit25 mg/1IntravenousNovadaq Technologies, Inc.1981-07-20Not applicableUs
Indocyanine GreenKit25 mg/1IntravenousDiagnostic Green GmbH2008-01-01Not applicableUs
Indocyanine greenInjection, powder, lyophilized, for solution25 mg/1IntravenousNovadaq Technologies, Inc.2015-12-01Not applicableUs
Indocyanine greenInjection, powder, lyophilized, for solution25 mg/1IntravenousNovadaq Technologies, Inc.2012-07-01Not applicableUs
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

    Learn more
  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
ICGIndocyanine green (25 mg/1) + Water (1 mL/1mL)KitIntravenousKARL STORZ Endoscopy-America, Inc.2016-06-01Not applicableUs
Indocyanine GreenIndocyanine green (25 mg/1) + Water (10 mL/1)KitIntravenousHub Pharmaceuticals Llc2008-01-01Not applicableUs
Indocyanine GreenIndocyanine green (25 mg/1) + Water (10 mL/1)KitIntravenousPulsion Medical Systems Se2008-01-012017-08-30Us
SPY-MIS KitIndocyanine green (25 mg/1) + Water (1 mL/1mL)KitIntravascular; IntravenousNovadaq Technologies Inc2019-09-10Not applicableUs
SPY-PHI KitIndocyanine green (25 mg/1) + Water (1 mL/1mL)KitIntravascular; IntravenousNovadaq Technologies Inc2019-09-10Not applicableUs
Categories
UNII
C4V974V932
CAS number
28782-33-4
Weight
Average: 753.99
Monoisotopic: 753.302656074
Chemical Formula
C43H49N2O6S2
InChI Key
BDBMLMBYCXNVMC-UHFFFAOYSA-O
InChI
InChI=1S/C43H48N2O6S2/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51)/p+1
IUPAC Name
2-[(1E,3E,5E)-7-[(2Z)-1,1-dimethyl-3-(4-sulfobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indol-3-ium
SMILES
CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS(O)(=O)=O)C3=C(C4=CC=CC=C4C=C3)C2(C)C)N(CCCCS(O)(=O)=O)C2=C1C1=CC=CC=C1C=C2

Pharmacology

Indication

For Determining Cardiac Output, Hepatic Function and Liver Blood Flow For ophthalmic angiography

Pharmacodynamics
Not Available
Mechanism of action

Indocyanine Green for Injection USP undergoes no significant extrahepatic or enterohepatic circulation; simultaneous arterial and venous blood estimations have shown negligible renal, peripheral, lung or cerebro-spinal uptake of the dye. Indocyanine Green for Injection USP is taken up from the plasma almost exclusively by the hepatic parenchymal cells and is secreted entirely into the bile. After biliary obstruction, the dye appears in the hepatic lymph, independently of the bile, suggesting that the biliary mucosa is sufficiently intact to prevent diffusion of the dye, though allowing diffusion of bilirubin. These characteristics make Indocyanine Green for Injection USP a helpful index of hepatic function.

Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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Absorption

It has a peak spectral absorption at about 800 nm.

Volume of distribution

ICG distribution into the mouse fetus can be enhanced when used concomitantly with OATP or P-glycoprotein inhibitors. The greater distribution within individual fetal tissues is likely related to ICG's greater transplacental transfer.

Protein binding

98%

Metabolism
Not Available
Route of elimination

The dye is excreted in bile in unconjugated form.

Half life

ICG has a half-life of 150 to 180 seconds.

Clearance

Clearance of dyes which are removed from the circulation principally by the liver constitutes one of the best methods for evaluating hepatic function.

Toxicity

Mouse LD50 60mg/kg ( intravenous ) Rat LD50 : 87mh/kg ( intravenous)

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

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AmiodaroneIndocyanine green acid form may decrease the excretion rate of Amiodarone which could result in a higher serum level.
AstemizoleAstemizole may decrease the excretion rate of Indocyanine green acid form which could result in a higher serum level.
AtazanavirAtazanavir may decrease the excretion rate of Indocyanine green acid form which could result in a higher serum level.
AtenololAtenolol may decrease the excretion rate of Indocyanine green acid form which could result in a higher serum level.
AtorvastatinAtorvastatin may decrease the excretion rate of Indocyanine green acid form which could result in a higher serum level.
AtropineAtropine may decrease the excretion rate of Indocyanine green acid form which could result in a higher serum level.
BenzbromaroneIndocyanine green acid form may decrease the excretion rate of Benzbromarone which could result in a higher serum level.
BosentanBosentan may decrease the excretion rate of Indocyanine green acid form which could result in a higher serum level.
BudesonideBudesonide may decrease the excretion rate of Indocyanine green acid form which could result in a higher serum level.
CefaclorCefaclor may decrease the excretion rate of Indocyanine green acid form which could result in a higher serum level.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
  1. Bishara A, Meir M, Portnoy E, Shmuel M, Eyal S: Near Infrared Imaging of Indocyanine Green Distribution in Pregnant Mice and Effects of Concomitant Medications. Mol Pharm. 2015 Sep 8;12(9):3351-7. doi: 10.1021/acs.molpharmaceut.5b00374. Epub 2015 Jul 25. [PubMed:26149724]
  2. DRUGS.COM [Link]
  3. Wikipedia [Link]
  4. ChemIDplus [Link]
  5. Pubchem [Link]
External Links
KEGG Drug
D01342
PubChem Compound
11967809
PubChem Substance
347827836
ChemSpider
18109
ChEBI
31696
ChEMBL
CHEMBL1615807
RxList
RxList Drug Page
Drugs.com
Drugs.com Drug Page
Wikipedia
Indocyanine_green
AHFS Codes
  • 36:18.00 — Cardiac Function
  • 36:44.00 — Liver Function
  • 36:68.00 — Roentgenography
FDA label
Download (3.75 MB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0CompletedBasic ScienceDetermination of the Occlusion Pressure in Lymphatic Vessels1
0CompletedDiagnosticDuctal Carcinoma / Invasive Ductal Carcinoma / Invasive Lobular Carcinoma1
0CompletedDiagnosticHepatocellular,Carcinoma1
0CompletedDiagnosticSolitary Pulmonary Nodules1
0Not Yet RecruitingBasic ScienceLymphatic Function1
0RecruitingDevice FeasibilitySkin Cancers1
0RecruitingDiagnosticEndometrial Cyst / Endometriosis / Fibroid Uterus / Uterine Adenomyosis / Uterine cyst / Uterine Leiomyomas / Uterus Myoma1
0RecruitingDiagnosticEndometriosis / Incocyanine Green (ICG) / Laparoscopy / Near Infrared Fluorescence Imaging1
0Unknown StatusBasic ScienceMicrocirculation / Reconstructive Surgery1
1Active Not RecruitingDiagnosticChronic Lung Diseases / Neoplasms / Neoplasms by Site / Neoplasms, Lung / Thoracic Neoplasms1
1Active Not RecruitingDiagnosticLung Cancers1
1CompletedBasic ScienceCholestasis / Primary Biliary Cholangitis / Primary Sclerosing Cholangitis (PSC)1
1CompletedDiagnosticAcute Calculous Cholecystitis / Acute Cholangitis1
1CompletedDiagnosticAtherosclerosis / Carotid Stenosis / Plaque, Atherosclerotic1
1CompletedDiagnosticEsophageal Cancers1
1CompletedDiagnosticMelanoma2
1CompletedDiagnosticNeoplasms1
1CompletedDiagnosticNeoplasms, Malignant1
1CompletedDiagnosticNeoplasms / Tumors, Solid1
1CompletedDiagnosticStage IIA Prostate Cancer / Stage IIB Prostate Cancer1
1CompletedOtherNeoplasms, Lung1
1CompletedTreatmentBreast Cancer1
1CompletedTreatmentEsophageal Cancers / Lung Cancers1
1CompletedTreatmentMelanoma (Skin) / Metastatic Cancers1
1CompletedTreatmentRenal Cell Cancer, Recurrent / Stage I Renal Cell Cancer / Stage II Renal Cell Cancer1
1Enrolling by InvitationTreatmentPrimary Brain Tumors / Recurrent Brain Tumors1
1Not Yet RecruitingDiagnosticHepatobiliary Surgery1
1Not Yet RecruitingDiagnosticNeoplastic Disease / Tumors, Solid1
1Not Yet RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Thoracic Surgery1
1RecruitingBasic ScienceLymphedema of the extremities / Rheumatoid Arthritis1
1RecruitingBasic ScienceLymphedema of the extremities1
1RecruitingDiagnosticCancers of the Head and Neck / Head and Neck Carcinoma1
1RecruitingDiagnosticHepatocellular,Carcinoma1
1RecruitingDiagnosticProstate Cancer1
1RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
1, 2CompletedDevice FeasibilityPulmonary Nodule, Multiple / Pulmonary Nodule, Solitary1
1, 2CompletedDiagnosticBreast Cancer1
1, 2CompletedDiagnosticOvarian Cancer / Peritoneal Carcinomatosis1
1, 2CompletedOtherChylothorax / Esophageal Cancers / Thoracic Duct Intra-Operative Injury1
1, 2CompletedTreatmentHead and Neck Carcinoma / Head and Neck Lymphedema / Neoplasms, Head and Neck1
1, 2CompletedTreatmentLung Cancers / Unspecified Adult Solid Tumor, Protocol Specific1
1, 2Not Yet RecruitingTreatmentHead and Neck Carcinoma1
1, 2Not Yet RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Primary Neoplasm1
1, 2RecruitingDiagnosticSuspected Central Nervous System Tumors1
1, 2RecruitingOtherSentinel Lymph Node1
1, 2TerminatedOtherGeneral Surgery / Rectal Carcinoma / Urethra Injury1
1, 2TerminatedTreatmentCancer of Rectum / Lymph Node Disease1
2CompletedDiagnosticBreast Cancer2
2CompletedDiagnosticColorectal Cancers1
2CompletedDiagnosticColorectal Cancers / Peritoneal Carcinomatosis1
2CompletedDiagnosticEndometriosis Outside Pelvis / Pelvic Endometriosis1
2CompletedDiagnosticPeripheral Arterial Disease (PAD)1
2CompletedTreatmentPeriodontitis1
2Enrolling by InvitationTreatmentIndocyanine Green / Stomach Neoplasms1
2RecruitingNot AvailableBreast Cancer1
2RecruitingDiagnosticEndometriosis Outside Pelvis / Pelvic Endometriosis1
2RecruitingDiagnosticTransplantation, Kidney1
2RecruitingTreatmentBreast Cancer2
2RecruitingTreatmentLiver Resection1
2TerminatedSupportive CareLymphedema of the extremities / Recurrent Breast Cancer / Stage IA Breast Cancer / Stage IB Breast Cancer / Stage II Breast Cancer1
2Unknown StatusDiagnosticBreast Cancer2
2Unknown StatusDiagnosticHead and Neck Carcinoma1
2, 3RecruitingDiagnosticPediatric Patients With Solid Tumors1
2, 3TerminatedPreventionFractures, Comminuted / Necrosis / Surgical Wound Dehiscence1
3CompletedDiagnosticNeoplasms, Breast1
3CompletedTreatmentChoroidal Melanoma1
3Enrolling by InvitationDiagnosticBreast Cancer / Melanoma (Skin) / Sentinel Lymph Node1
3RecruitingDiagnosticAnus Cancer / Carcinoma, Breast / Cervix Cancer / Endometrium Cancer / Head and Neck Carcinoma / Melanoma (Skin) / Ovarian Cancer / Rectum Cancer / Squamous Cell Carcinoma, Skin / Vulva Cancer1
3RecruitingTreatmentPeriodontal Diseases1
3WithdrawnDiagnosticHepatic Failure1
3WithdrawnDiagnosticProstatic Neoplasms1
4Active Not RecruitingDiagnosticLiver Cirrhosis1
4Enrolling by InvitationDiagnosticLymphedema of the extremities1
4RecruitingDiagnosticNeoplasms, Breast1
4RecruitingOtherGraves Diseases / Thyroid Cancers / Thyroid Goiter1
4RecruitingPreventionHypocalcemia / Hypoparathyroidism Postprocedural / Total Thyroidectomy1
4RecruitingTreatmentDeep Endometriosis / Recto Vaginal Node1
4WithdrawnOtherSclerosis, Progressive Systemic1
Not AvailableActive Not RecruitingNot AvailableAcute Anoxic Encephalopathy / Cerebral Hemorrhage / Stroke, Ischemic / Subarachnoid Hemorrhage / Traumatic Brain Injury (TBI)1
Not AvailableActive Not RecruitingNot AvailablePolypoidal Choroidal Vasculopathy (PCV)1
Not AvailableActive Not RecruitingDiagnosticEndometrial Clear Cell Adenocarcinoma / Endometrial Mixed Adenocarcinoma / Endometrial Serous Adenocarcinoma / Grade 3 Endometrial Endometrioid Adenocarcinoma / Gynecologic Cancers / Malignant Mixed Mesodermal (Mullerian) Tumor1
Not AvailableActive Not RecruitingDiagnosticLiver Cirrhosis / Portal Hypertension1
Not AvailableActive Not RecruitingTreatmentBreast Cancer1
Not AvailableCompletedNot AvailableMetastatic Colorectal Cancers1
Not AvailableCompletedNot AvailableParathyroid; Deficiency / Thyroid1
Not AvailableCompletedDiagnosticBiliary Colic / Gallbladder disorders / Gallstone formation1
Not AvailableCompletedDiagnosticCervical Cancers / Endometrial Cancers1
Not AvailableCompletedDiagnosticColorectal Polyps / Distal Colonic Lesions / High Risk Polyposis Syndrome1
Not AvailableCompletedDiagnosticEarly Breast Cancer / Stage II Breast Cancer1
Not AvailableCompletedDiagnosticEndometrial Cancers1
Not AvailableCompletedDiagnosticGallbladder Inflammation1
Not AvailableCompletedDiagnosticMelanoma / Sentinel Node1
Not AvailableCompletedDiagnosticSkull Base Neoplasm / Skull Base Neoplasms1
Not AvailableCompletedOtherHead and Neck Carcinoma1
Not AvailableCompletedPreventionGallbladder Inflammation / Gallstone formation1
Not AvailableCompletedTreatmentBreast Cancer / Ductal Carcinoma in Situ - Category / Prophylactic Mastectomy1
Not AvailableCompletedTreatmentBreast Cancer / Sentinel Lymph Node1
Not AvailableCompletedTreatmentColic of Gallbladder Without Mention of Cholecystitis / Gallbladder Inflammation / Gallstone formation / Pancreatitis Biliary1
Not AvailableCompletedTreatmentLung Cancers / Pulmonary Nodule, Solitary1
Not AvailableCompletedTreatmentMinor burns1
Not AvailableEnrolling by InvitationNot AvailableDercum Disease / Lipoedema / Lymphatic Disorders / Lymphedema of the extremities / Vascular Anomalies / Vascular Malformations1
Not AvailableEnrolling by InvitationTreatmentBreast Cancer / Sentinel Lymph Node1
Not AvailableNot Yet RecruitingNot AvailableCerebral Aneurysms / Cerebral AVM / Neoplasms, Brain / Vascular; Lesion, Central Nervous System1
Not AvailableNot Yet RecruitingTreatmentDiabetic Extremity Lower Ulcers1
Not AvailableNot Yet RecruitingTreatmentGastroschisis / Hirschsprung's Disease / Incarcerated hernia / Intestinal Atresia / Intestinal Obstruction / Intestinal Perforations / Intussusception / Malrotation / Meconium Ileus / Necrotizing Enterocolitis / Traumas / Volvulus1
Not AvailableNot Yet RecruitingTreatmentRectal Carcinoma1
Not AvailableRecruitingNot AvailableAdnexal Masses / Ovarian Cancer1
Not AvailableRecruitingNot AvailableDisorders, Blood Coagulation / Hepatic Insufficiency1
Not AvailableRecruitingNot AvailableLymph Node Mass / Lymphatic Vessel; Dilatation / Rheumatoid Arthritis1
Not AvailableRecruitingBasic ScienceLymphedema, Secondary1
Not AvailableRecruitingDiagnosticEndometrial Cancers / Indocyanine Green / Sentinel Lymph Node1
Not AvailableRecruitingDiagnosticLeak, Anastomotic1
Not AvailableRecruitingDiagnosticLymph Node Metastasis / Melanoma1
Not AvailableRecruitingDiagnosticNeoplasms, Head and Neck1
Not AvailableRecruitingPreventionAnatomic Stage III Breast Cancer AJCC v8 / Anatomic Stage IIIA Breast Cancer AJCC v8 / Anatomic Stage IIIB Breast Cancer AJCC v8 / Anatomic Stage IIIC Breast Cancer AJCC v8 / Inflammatory Breast Carcinoma / Prognostic Stage III Breast Cancer AJCC v8 / Prognostic Stage IIIA Breast Cancer AJCC v8 / Prognostic Stage IIIB Breast Cancer AJCC v8 / Prognostic Stage IIIC Breast Cancer AJCC v81
Not AvailableRecruitingPreventionBreast Cancer / Lymphadenectomy1
Not AvailableSuspendedDiagnosticGastric (Stomach) Cancer / Gastrointestinal Diseases / Gastrointestinal Stromal Tumors / Gastrointestinal Stromal Tumors (GISTs) / Malignant Neoplasm of Stomach1
Not AvailableTerminatedDiagnosticHepatic Failure1
Not AvailableTerminatedDiagnosticStage I Endometrial Carcinoma / Stage II Endometrial Carcinoma / Stage III Endometrial Carcinoma / Stage IV Endometrial Carcinoma1
Not AvailableUnknown StatusDiagnosticRecurrent Melanoma / Stage IA Melanoma / Stage IB Melanoma / Stage IIA Melanoma / Stage IIB Melanoma / Stage IIC Melanoma / Stage IIIA Melanoma / Stage IIIB Melanoma / Stage IIIc Melanoma / Stage IV Melanoma1
Not AvailableWithdrawnDiagnosticLung Cancers1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
PowderIntravenous25 mg
Injection, powder, lyophilized, for solutionIntravenous25 mg/1
KitIntravenous
KitIntravenous25 mg/1
Kit; powder, for solutionIntravenous
Powder, for solutionIntravenous
Powder, for solutionInterstitial; Intravenous
Kit; powder, for solutionInterstitial; Intravenous
KitInterstitial; Intravenous25 mg/1
KitIntravascular; Intravenous
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)
US7881777No2011-02-012021-09-22Us
US6915154No2005-07-052021-08-01Us
US8647605No2014-02-112029-02-11Us
US8185176No2012-05-222028-06-04Us
US9421280No2016-08-232025-11-24Us
US8406860No2013-03-262029-04-09Us
US8892190No2014-11-182020-08-11Us
Additional Data Available
  • Filed On
    Filed On

    The date on which a patent was filed with the relevant government.

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Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.82e-05 mg/mLALOGPS
logP2.26ALOGPS
logP6.05ChemAxon
logS-7.3ALOGPS
pKa (Strongest Acidic)-0.94ChemAxon
pKa (Strongest Basic)2.66ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area114.99 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity231.13 m3·mol-1ChemAxon
Polarizability87.2 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Cofactor
General Function
Receptor binding
Specific Function
Not Available
Gene Name
IDH1
Uniprot ID
O75874
Uniprot Name
Isocitrate dehydrogenase [NADP] cytoplasmic
Molecular Weight
46659.005 Da
References
  1. UniProt [Link]
  2. ChEMBL [Link]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Catalytic activity
General Function
Glutaminase activity
Specific Function
Catalyzes the first reaction in the primary pathway for the renal catabolism of glutamine. Plays a role in maintaining acid-base homeostasis. Regulates the levels of the neurotransmitter glutamate ...
Gene Name
GLS
Uniprot ID
O94925
Uniprot Name
Glutaminase kidney isoform, mitochondrial
Molecular Weight
73460.56 Da
References
  1. UniProt [Link]
  2. ChEMBL [Link]

Transporters

Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Transporter
General Function
Organic anion transmembrane transporter activity
Specific Function
Mediates hepatobiliary excretion of numerous organic anions. May function as a cellular cisplatin transporter.
Gene Name
ABCC2
Uniprot ID
Q92887
Uniprot Name
Canalicular multispecific organic anion transporter 1
Molecular Weight
174205.64 Da
References
  1. UniProt [Link]
  2. ChEMBL [Link]
Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Transporter activity
Specific Function
Involved in the ATP-dependent secretion of bile salts into the canaliculus of hepatocytes.
Gene Name
ABCB11
Uniprot ID
O95342
Uniprot Name
Bile salt export pump
Molecular Weight
146405.83 Da
References
  1. Pedersen JM, Matsson P, Bergstrom CA, Hoogstraate J, Noren A, LeCluyse EL, Artursson P: Early identification of clinically relevant drug interactions with the human bile salt export pump (BSEP/ABCB11). Toxicol Sci. 2013 Dec;136(2):328-43. doi: 10.1093/toxsci/kft197. Epub 2013 Sep 6. [PubMed:24014644]

Drug created on November 30, 2015 12:10 / Updated on November 20, 2019 12:31