GADOLINIUM 3,6,9-TRIS(CARBOXYMETHYL)-11-OXO-3,6,9,12-TETRAAZATRIDECANOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22N4O9.Gd.H
Molecular Weight	560.6173
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GADOLINIUM 3,6,9-TRIS(CARBOXYMETHYL)-11-OXO-3,6,9,12-TETRAAZATRIDECANOATE

Structure Search

SMILES

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

InChI

InChIKey=VMSSHWLKUIABMR-UHFFFAOYSA-K

InChI=1S/C15H26N4O9.Gd/c1-16-11(20)6-18(8-13(23)24)4-2-17(7-12(21)22)3-5-19(9-14(25)26)10-15(27)28;/h2-10H2,1H3,(H,16,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3

HIDE SMILES / InChI

Molecular Formula	C15H22N4O9
Molecular Weight	402.3572
Charge	-4
Count

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

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Molecular Formula	Gd
Molecular Weight	157.2521
Charge	3
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 `Fri Jun 25 20:42:56 UTC 2021` Edited by `admin` on `Fri Jun 25 20:42:56 UTC 2021`
Record UNII	I2BEW1253G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

GADOLINIUM 3,6,9-TRIS(CARBOXYMETHYL)-11-OXO-3,6,9,12-TETRAAZATRIDECANOATE

Systematic Name

English

GADODIAMIDE HYDRATE SPECIFIED IMPURITY A

Common Name

English

GADOLINATE(1-), AQUA(5,8,11-TRIS((CARBOXY-.KAPPA.O)METHYL)-3-(OXO-.KAPPA.O)-2,5,8,11-TETRAAZATRIDECAN-13-OATO(4-)-.KAPPA.N5,.KAPPA.N8,.KAPPA.N11,.KAPPA.O13)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10415401

Created by admin on Fri Jun 25 20:42:57 UTC 2021 , Edited by admin on Fri Jun 25 20:42:57 UTC 2021

PRIMARY

FDA UNII

I2BEW1253G

Created by admin on Fri Jun 25 20:42:57 UTC 2021 , Edited by admin on Fri Jun 25 20:42:57 UTC 2021

PRIMARY

CAS

191978-86-6

Created by admin on Fri Jun 25 20:42:56 UTC 2021 , Edited by admin on Fri Jun 25 20:42:56 UTC 2021

PRIMARY

Related Record Type Details


					0RPE15QPL0

GADODIAMIDE HYDRATE

PARENT -> IMPURITY