IOFRATOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H36I6N6O13
Molecular Weight	1462.0768
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)C(=O)NC1=C(I)C(C(=O)NCC(O)CNC(=O)C2=C(I)C(C(=O)NC(CO)CO)=C(I)C(NC(=O)[C@H](C)O)=C2I)=C(I)C(C(=O)NC(CO)CO)=C1I

InChI

InChIKey=NNZBBKHCMKTQJQ-UWVGGRQHSA-N

InChI=1S/C31H36I6N6O13/c1-9(48)26(51)42-24-20(34)14(18(32)16(22(24)36)30(55)40-11(5-44)6-45)28(53)38-3-13(50)4-39-29(54)15-19(33)17(31(56)41-12(7-46)8-47)23(37)25(21(15)35)43-27(52)10(2)49/h9-13,44-50H,3-8H2,1-2H3,(H,38,53)(H,39,54)(H,40,55)(H,41,56)(H,42,51)(H,43,52)/t9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H36I6N6O13
Molecular Weight	1462.0768
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9389344 | https://www.ncbi.nlm.nih.gov/pubmed/8761866

Iofratol, is a dimeric, hexaiodinated radiographic contrast agent that was being developed by Bracco as a potential X-ray contrast medium for angiography and myelography.

Originator

Approval Year

PubMed

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:59:28 GMT 2023` Edited by `admin` on `Fri Dec 15 16:59:28 GMT 2023`
Record UNII	016B407G6F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IOFRATOL

Official Name

English

iofratol [INN]

Common Name

English

N,N''-(2-HYDROXYTRIMETHYLENE)BIS(N'-(2-HYDROXY-1-(HYDROXYMETHYL)ETHYL)-2,4,6-TRIIODO-5-((S)-LACTAMIDO)ISOPHTHALAMIDE)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28500