U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry UNKNOWN
Molecular Formula C37H48I6N6O18
Molecular Weight 1626.2332
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IOTROLAN

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)C2=C(I)C(C(=O)NC(CO)C(O)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C2I

InChI

InChIKey=XUHXFSYUBXNTHU-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C37H48I6N6O18
Molecular Weight 1626.2332
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Iotrol, a nonionic dimeric, intrathecal contrast medium for myelography. This agent does not exhibit any cytotoxic effect on human healthy nucleus pulposus (NP) cells.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
OSMOVIST

T1/2

ValueDoseCo-administeredAnalytePopulation
4 h
5112 mg single, lumbar injection
IOTROLAN plasma
Homo sapiens

PubMed

Substance Class Chemical
Record UNII
16FL47B687
Record Status Validated (UNII)
Record Version