GADODIAMIDE HYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H26N5O8.Gd.3H2O
Molecular Weight	627.7
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.[Gd+3].CNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O)CC([O-])=O

InChI

InChIKey=WYKPQCVMUQQKCL-UHFFFAOYSA-K

InChI=1S/C16H29N5O8.Gd.3H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;3*1H2/q;+3;;;/p-3

HIDE SMILES / InChI

Molecular Formula	Gd
Molecular Weight	157.25
Charge	3
Count

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

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Molecular Formula	C16H29N5O8
Molecular Weight	419.4302
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:54:51 UTC 2023` Edited by `admin` on `Sat Dec 16 05:54:51 UTC 2023`
Record UNII	0RPE15QPL0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GADODIAMIDE HYDRATE

Common Name

English

GADODIAMIDE HYDRATE [JAN]

Common Name

English

AQUA(N-N'-BIS(2-((CARBOXYMETHYL)((METHYLCARBAMOYL)METHYL)AMINO)ETHYL)GLYCINATO(3-))GADOLINIUM HYDRATE

Common Name

English

GADODIAMIDE TRIHYDRATE

Common Name

English

GADODIAMIDE HYDRATE [EP MONOGRAPH]

Common Name

English

Code System Code Type Description

FDA UNII

0RPE15QPL0