GADOBENIC ACID

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H26N3O11.Gd.2H
Molecular Weight	667.72
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GADOBENIC ACID

Structure Search

SMILES

[H+].[H+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)C(COCC1=CC=CC=C1)C([O-])=O

InChI

InChIKey=MXZROTBGJUUXID-UHFFFAOYSA-K

InChI=1S/C22H31N3O11.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);/q;+3/p-3

HIDE SMILES / InChI

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	157.25
Charge	3
Count

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

Molecular Formula	C22H26N3O11
Molecular Weight	508.4553
Charge	-5
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:32:47 UTC 2023` Edited by `admin` on `Fri Dec 15 16:32:47 UTC 2023`
Record UNII	15G12L5X8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GADOBENIC ACID

Official Name

English

GADOBENATE

Common Name

English

gadobenic acid [INN]

Common Name

English

Gadobenic acid [WHO-DD]

Common Name

English

GADOLINATE(2-), (10-(CARBOXY-.KAPPA.O)-3,6,9-TRIS((CARBOXY-.KAPPA.O)METHYL)-13-PHENYL-12-OXA-3,6,9-TRIAZATRIDECANOATO(5-)-.KAPPA.N3,.KAPPA.N6,.KAPPA.N9,.KAPPA.O)-, HYDROGEN (1:2)

Systematic Name

English

2-OXA-5,8,11-TRIAZATRIDECAN-13-OIC ACID, 4-CARBOXY-5,8,11-TRIS(CARBOXYMETHYL)-1-PHENYL-, GADOLINIUM COMPLEX

Common Name

English

GADOLINATE(2-), (4-CARBOXY-5,8,11-TRIS(CARBOXYMETHYL)-1-PHENYL-2-OXA-5,8,11-TRIAZATRIDECAN-13-OATO(5-)-N5,N8,N11,O4,O5,O8,O11,O13)-, DIHYDROGEN

Common Name

English

GADOBENATE [VANDF]

Common Name

English

B-19036

Code

English

Classification Tree Code System Code

WHO-VATC

QV08CA08

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

NDF-RT

N0000180184

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

NDF-RT

N0000175862

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

WHO-ATC

V08CA08

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

NCI_THESAURUS

C62358

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

Code System Code Type Description

INN

6688

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

PRIMARY

CAS

113662-23-0

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

PRIMARY

PUBCHEM

105124

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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RXCUI

692620

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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RxNorm

CAS

133724-16-0

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

SUPERSEDED

DRUG BANK

DB00743

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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ChEMBL

CHEMBL1200571

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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SMS_ID

100000084508

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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FDA UNII

15G12L5X8K

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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EPA CompTox

DTXSID00921145

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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MESH

C064572

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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LACTMED

Gadobenate

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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DRUG CENTRAL

4557

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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NCI_THESAURUS

C76043

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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WIKIPEDIA

GADOBENIC ACID

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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EVMPD

SUB07860MIG

Created by admin on Fri Dec 15 16:32:47 UTC 2023 , Edited by admin on Fri Dec 15 16:32:47 UTC 2023

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