U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28N3O11.Gd.2H
Molecular Weight 681.75
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GADOXETIC ACID

SMILES

[H+].[H+].[Gd+3].CCOC1=CC=C(C[C@@H](CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)N(CC([O-])=O)CC([O-])=O)C=C1

InChI

InChIKey=PCZHWPSNPWAQNF-LMOVPXPDSA-K
InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t17-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GADOXETIC ACID
INN   MART.   MI   WHO-DD  
INN  
Official Name English
GADOLINIC ACID, (N-(2-(BIS((CARBOXY-.KAPPA.O)METHYL)AMINO-.KAPPA.N)-3-(4-ETHOXYPHENYL)PROPYL)-N-(2-(BIS((CARBOXY-.KAPPA.O)METHYL)AMINO-.KAPPA.N)ETHYL)GLYCINATO(5-)-.KAPPA.N,.KAPPA.O)-
Common Name English
GADOXETIC ACID [MART.]
Common Name English
gadoxetic acid [INN]
Common Name English
GADOXETATE
VANDF  
Common Name English
GADOXETIC ACID [MI]
Common Name English
Gadoxetic acid [WHO-DD]
Common Name English
(N-((2S)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(P-ETHOXYPHENYL)PROPYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)GLYCINATO(5-))GADOLINIC ACID
Common Name English
GADOXETATE [VANDF]
Common Name English
GADOLINATE(2-), (N-((2S)-2-(BIS((CARBOXY-.KAPPA.O)METHYL)AMINO-.KAPPA.N)-3-(4-ETHOXYPHENYL)PROPYL)-N-(2-(BIS((CARBOXY-.KAPPA.O)METHYL)AMINO-.KAPPA.N)ETHYL)GLYCINATO(5-)--.KAPPA.N,-.KAPPA.O)-, DIHYDROGEN-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C62358
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
WHO-VATC QV08CA10
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
WHO-ATC V08CA10
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
NDF-RT N0000175862
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
NDF-RT N0000180184
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2221312
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
PUBCHEM
219084
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
RXCUI
802624
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY RxNorm
DRUG CENTRAL
3259
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
NCI_THESAURUS
C77549
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
DRUG BANK
DB08884
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
SMS_ID
100000084490
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
WIKIPEDIA
GADOXETIC ACID
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
INN
7226
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
MERCK INDEX
m5630
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY Merck Index
CAS
135326-11-3
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
LACTMED
Gadoxetate
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
FDA UNII
3QJA87N40S
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
EVMPD
SUB07868MIG
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID90928961
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY