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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18NO5.Na
Molecular Weight 303.2862
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SANFETRINEM SODIUM

SMILES

[Na+].[H][C@]1([C@@H](C)O)C(=O)N2C(C([O-])=O)=C3[C@H](CCC[C@]3([H])[C@]12[H])OC

InChI

InChIKey=YXEMRWDSRDEZLB-KOKFPPFCSA-M
InChI=1S/C14H19NO5.Na/c1-6(16)9-11-7-4-3-5-8(20-2)10(7)12(14(18)19)15(11)13(9)17;/h6-9,11,16H,3-5H2,1-2H3,(H,18,19);/q;+1/p-1/t6-,7+,8+,9-,11-;/m1./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 C14H18NO5
Molecular Weight 280.2964
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:28:22 UTC 2023
Edited
by admin
on Fri Dec 15 15:28:22 UTC 2023
Record UNII
R0OS2S9G4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SANFETRINEM SODIUM
USAN  
USAN  
Official Name English
GV-104326B
Code English
GV104326B
Code English
LK-176
Code English
SANFETRINEM SODIUM [USAN]
Common Name English
GV-326
Code English
GV104326
Code English
GV-104326
Code English
LK176
Code English
GV326
Code English
Sodium (1S,5S,8aS,8bR)-1,2,5,6,7,8,8a,8b-octahydro-1-[(R)-1-hydroxyethyl]-5-methoxy-2-oxoazeto[2,1-a]isoindole-4-carboxylate
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C260
Created by admin on Fri Dec 15 15:28:22 UTC 2023 , Edited by admin on Fri Dec 15 15:28:22 UTC 2023
Code System Code Type Description
USAN
GG-105
Created by admin on Fri Dec 15 15:28:22 UTC 2023 , Edited by admin on Fri Dec 15 15:28:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID00931143
Created by admin on Fri Dec 15 15:28:22 UTC 2023 , Edited by admin on Fri Dec 15 15:28:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL316197
Created by admin on Fri Dec 15 15:28:22 UTC 2023 , Edited by admin on Fri Dec 15 15:28:22 UTC 2023
PRIMARY
PUBCHEM
23669766
Created by admin on Fri Dec 15 15:28:22 UTC 2023 , Edited by admin on Fri Dec 15 15:28:22 UTC 2023
PRIMARY
CAS
141611-76-9
Created by admin on Fri Dec 15 15:28:22 UTC 2023 , Edited by admin on Fri Dec 15 15:28:22 UTC 2023
PRIMARY
FDA UNII
R0OS2S9G4U
Created by admin on Fri Dec 15 15:28:22 UTC 2023 , Edited by admin on Fri Dec 15 15:28:22 UTC 2023
PRIMARY
NCI_THESAURUS
C72622
Created by admin on Fri Dec 15 15:28:22 UTC 2023 , Edited by admin on Fri Dec 15 15:28:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY