Iotrolan

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Iotrolan
Accession Number
DB09487
Type
Small Molecule
Groups
Approved
Description

Nonionic, isotonic contrast medium designed for intrathecal use.

Structure
Thumb
Synonyms
  • Iotrolanum
  • Iotrolum
External IDs
DL 3-117 / DL-3117 / ZK 39 482 / ZK-39-482 / ZK-39482
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Osmovist 240 - Liq Int 513mg/mlSolutionIntrathecalBayer1996-11-082009-08-06Canada
Osmovist 300 - Liq Int 641mg/mlSolutionIntrathecalBayer1996-11-082009-08-06Canada
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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International/Other Brands
Iotrovist / Isovist / Osmovist / Osmovist 190 / Osmovist 240
Categories
UNII
16FL47B687
CAS number
79770-24-4
Weight
Average: 1626.242
Monoisotopic: 1625.72933
Chemical Formula
C37H48I6N6O18
InChI Key
XUHXFSYUBXNTHU-UHFFFAOYSA-N
InChI
InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)
IUPAC Name
2,4,6-triiodo-5-{N-methyl-2-[methyl({2,4,6-triiodo-3,5-bis[(1,3,4-trihydroxybutan-2-yl)carbamoyl]phenyl})carbamoyl]acetamido}-N1,N3-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
SMILES
CN(C(=O)CC(=O)N(C)C1=C(I)C(C(=O)NC(CO)C(O)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C1I)C1=C(I)C(C(=O)NC(CO)C(O)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C1I

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
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.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D01714
ChemSpider
3607
ChEBI
31715
ChEMBL
CHEMBL1200555
Wikipedia
Iotrolan
ATC Codes
V08AB06 — Iotrolan

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
SolutionIntrathecal
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.539 mg/mLALOGPS
logP-3.3ALOGPS
logP-3.7ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)11.5ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count18ChemAxon
Hydrogen Donor Count16ChemAxon
Polar Surface Area399.78 Å2ChemAxon
Rotatable Bond Count24ChemAxon
Refractivity290.72 m3·mol-1ChemAxon
Polarizability116.79 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on November 30, 2015 12:10 / Updated on September 02, 2019 19:11