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
Molecular Formula C23H28N3O11
Molecular Weight 522.4819
Charge -5
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED
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 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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:11:42 UTC 2023
Edited
by admin
on Fri Dec 15 16:11:42 UTC 2023
Record UNII
3QJA87N40S
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
Structure of GADOLINIUM CATION (3+)
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966