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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28N3O11.Gd.2Na
Molecular Weight 725.71
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GADOXETATE DISODIUM

SMILES

[Na+].[Na+].[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=SLYTULCOCGSBBJ-FCQHKQNSSA-I
InChI=1S/C23H33N3O11.Gd.2Na/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;2*+1/p-5/t17-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:58:07 UTC 2023
Edited
by admin
on Fri Dec 15 15:58:07 UTC 2023
Record UNII
HOY74VZE0M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GADOXETATE DISODIUM
DASH   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN  
Official Name English
ZK-139834
Code English
ZK 139834
Code English
DISODIUM (N-((2S)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(P-ETHOXYPHENYL)PROPYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)GLYCINATO(5-))GADOLINATE(2-)
Common Name English
SODIUM GADOXETATE [MART.]
Common Name English
GADOXETATE DISODIUM [VANDF]
Common Name English
GADOXETATE DISODIUM [ORANGE BOOK]
Common Name English
GADOXETIC ACID DISODIUM
Common Name English
SHL-569B
Code English
EOVIST
Brand Name English
GADOXETATE DISODIUM [USAN]
Common Name English
Gadoxetate disodium [WHO-DD]
Common Name English
GADOXETIC ACID SODIUM SALT [MI]
Common Name English
GADOXETATE SODIUM [JAN]
Common Name English
GADOXETATE SODIUM
JAN  
Common Name English
GADOLINATE(2-), (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)-, DISODIUM, (SA-8-11252634-(S))-
Common Name English
GADOXETIC ACID, DISODIUM
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C62358
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
Code System Code Type Description
EVMPD
SUB39501
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
CAS
135326-22-6
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
ChEMBL
CHEMBL2221312
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
SMS_ID
100000129575
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
USAN
LL-11
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
PUBCHEM
53240376
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
NCI_THESAURUS
C77548
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
RXCUI
637320
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY RxNorm
DAILYMED
HOY74VZE0M
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
DRUG BANK
DB08884
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
FDA UNII
HOY74VZE0M
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
HSDB
8233
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
MERCK INDEX
m5630
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY Merck Index
EVMPD
SUB21915
Created by admin on Fri Dec 15 15:58:07 UTC 2023 , Edited by admin on Fri Dec 15 15:58:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY