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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H38N3O14P.Gd.3Na
Molecular Weight 957.86
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GADOFOSVESET TRISODIUM ANHYDROUS

SMILES

[Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)C[C@H](COP([O-])(=O)OC1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)N(CC([O-])=O)CC([O-])=O

InChI

InChIKey=XGOSYNSWSRUASG-SSMZTGFVSA-H
InChI=1S/C33H44N3O14P.Gd.3Na/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;/q;+3;3*+1/p-6/t26-;;;;/m1..../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GADOFOSVESET TRISODIUM ANHYDROUS
Common Name English
TRISODIUM (N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-((R)-2-(BIS(CARBOXYMETHYL)AMINO)-3-HYDROXYPROPYL)GLYCINE 4,4-DIPHENYLCYCLOHEXYL HYDROGEN PHOSPHATO(6-)) GADOLINATE(3-)
Common Name English
GADOFOSVESET TRISODIUM SALT
MI  
Common Name English
GADOFOSVESET TRISODIUM SALT [MI]
Common Name English
TRISODIUM (N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-((R)-2-(BIS(CARBOXYMETHYL)AMINO)-3-HYDROXYPROPYL)GLYCINE 4,4-DIPHENYLCYCLOHEXYL HYDROGEN PHOSPHATO (6-))GADOLINATE(3-)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C62358
Created by admin on Fri Dec 15 16:02:48 UTC 2023 , Edited by admin on Fri Dec 15 16:02:48 UTC 2023
Code System Code Type Description
CAS
193901-90-5
Created by admin on Fri Dec 15 16:02:48 UTC 2023 , Edited by admin on Fri Dec 15 16:02:48 UTC 2023
PRIMARY
MERCK INDEX
m5625
Created by admin on Fri Dec 15 16:02:48 UTC 2023 , Edited by admin on Fri Dec 15 16:02:48 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID40941084
Created by admin on Fri Dec 15 16:02:48 UTC 2023 , Edited by admin on Fri Dec 15 16:02:48 UTC 2023
PRIMARY
DRUG BANK
DB06705
Created by admin on Fri Dec 15 16:02:48 UTC 2023 , Edited by admin on Fri Dec 15 16:02:48 UTC 2023
PRIMARY
FDA UNII
9430ZR8ZAN
Created by admin on Fri Dec 15 16:02:48 UTC 2023 , Edited by admin on Fri Dec 15 16:02:48 UTC 2023
PRIMARY
PUBCHEM
11672461
Created by admin on Fri Dec 15 16:02:48 UTC 2023 , Edited by admin on Fri Dec 15 16:02:48 UTC 2023
PRIMARY
HSDB
8232
Created by admin on Fri Dec 15 16:02:48 UTC 2023 , Edited by admin on Fri Dec 15 16:02:48 UTC 2023
PRIMARY
NCI_THESAURUS
C81058
Created by admin on Fri Dec 15 16:02:48 UTC 2023 , Edited by admin on Fri Dec 15 16:02:48 UTC 2023
PRIMARY