Gadolinium 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H23N4O6.Gd
Molecular Weight	500.61
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Gadolinium 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate

Structure Search

SMILES

[Gd+3].[O-]C(=O)CN1CCNCCN(CC([O-])=O)CCN(CC([O-])=O)CC1

InChI

InChIKey=SGPXHPCSEYUXPA-UHFFFAOYSA-K

InChI=1S/C14H26N4O6.Gd/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24);/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	C14H23N4O6
Molecular Weight	343.3556
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 `Mon Mar 31 22:07:51 GMT 2025` Edited by `admin` on `Mon Mar 31 22:07:51 GMT 2025`
Record UNII	3JHB4H1GFV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GADOTERIDOL RELATED COMPOUND B [USP-RS]

Preferred Name

English

Gadolinium 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate

Systematic Name

English

2-(4,7-BIS(CARBOXYLATOMETHYL)-1,4,7,10-TETRAZACYCLODODEC-1-YL)ACETATEGADOLINIUM(3+)

Systematic Name

English

Gadolinium, [1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-?N1,?N4,?N7,?N10,?O1,?O4,?O7]-

Systematic Name

English

(1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, MONOGADOLINIUM SALT)

Systematic Name

English

[1,4,7,10-Tetraazacyclododecane-1,4,7-triacetato(3-)-?N1,?N4,?N7,?N10,?O1,?O4,?O7]gadolinium

Systematic Name

English

GD-DO 3A

Common Name

English

Code System Code Type Description

PUBCHEM

450234

Created by admin on Mon Mar 31 22:07:51 GMT 2025 , Edited by admin on Mon Mar 31 22:07:51 GMT 2025

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FDA UNII

3JHB4H1GFV

Created by admin on Mon Mar 31 22:07:51 GMT 2025 , Edited by admin on Mon Mar 31 22:07:51 GMT 2025

PRIMARY

CAS

112188-16-6

Created by admin on Mon Mar 31 22:07:51 GMT 2025 , Edited by admin on Mon Mar 31 22:07:51 GMT 2025

PRIMARY

RS_ITEM_NUM

1287653

Created by admin on Mon Mar 31 22:07:51 GMT 2025 , Edited by admin on Mon Mar 31 22:07:51 GMT 2025

PRIMARY

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