IOTROXATE MEGLUMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H18I6N2O9.C7H17NO5
Molecular Weight	1411.0267
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C1=C(I)C=C(I)C(NC(=O)COCCOCCOCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C1I

InChI

InChIKey=WLQIGBUDSUVJCO-WZTVWXICSA-N

InChI=1S/C22H18I6N2O9.C7H17NO5/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36;1-8-2-4(10)6(12)7(13)5(11)3-9/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

HIDE SMILES / InChI

Molecular Formula	C22H18I6N2O9
Molecular Weight	1215.8131
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H17NO5
Molecular Weight	195.2136
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:05:35 UTC 2023` Edited by `admin` on `Fri Dec 15 18:05:35 UTC 2023`
Record UNII	389136RRO0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IOTROXATE MEGLUMINE

Common Name

English

BENZOIC ACID, 3,3'-(OXYBIS(2,1-ETHANEDIYLOXY(1-OXO-2,1-ETHANEDIYL)IMINO))BIS(2,4,6-TRIIODO-, COMPD. WITH 1-DEOXY-1-(METHYLAMINO)-D-GLUCITOL (1:2)

Common Name

English

IOTROXAMIDE

Common Name

English

Iotroxate meglumine [WHO-DD]

Common Name

English

D-GLUCITOL, 1-DEOXY-1-(METHYLAMINO)-, 3,3'-(OXYBIS(2,1-ETHANEDIYLOXY(1-OXO-2,1-ETHANEDIYL)IMINO))BIS(2,4,6-TRIIODOBENZOATE) (2:1)

Common Name

English

IOTROXATE MEGLUMINE [JAN]

Common Name

English

MEGLUMINE IOTROXATE

Common Name

English

MEGLUMINE IOTROXINATE

Common Name

English

Code System Code Type Description

ChEMBL

CHEMBL2110616