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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22N4O9.Gd.H
Molecular Weight	560.61
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

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

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	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	C15H22N4O9
Molecular Weight	402.3566
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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:55:13 UTC 2023` Edited by `admin` on `Sat Dec 16 14:55:13 UTC 2023`
Record UNII	I2BEW1253G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

GADODIAMIDE HYDRATE IMPURITY A [EP IMPURITY]

Common Name

English

GD-DTPA-MMA

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 Sat Dec 16 14:55:13 UTC 2023 , Edited by admin on Sat Dec 16 14:55:13 UTC 2023

PRIMARY

FDA UNII

I2BEW1253G

Created by admin on Sat Dec 16 14:55:13 UTC 2023 , Edited by admin on Sat Dec 16 14:55:13 UTC 2023

PRIMARY

CAS

191978-86-6

Created by admin on Sat Dec 16 14:55:13 UTC 2023 , Edited by admin on Sat Dec 16 14:55:13 UTC 2023

PRIMARY

Related Record Type Details


					0RPE15QPL0

GADODIAMIDE HYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: