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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14NO5S3.Na
Molecular Weight 371.428
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-81054 SODIUM

SMILES

[Na+].C[C@@H](O)[C@@H]1[C@H]2SC(S[C@@H]3CC[S@+]([O-])C3)=C(N2C1=O)C([O-])=O

InChI

InChIKey=MRHMJKHFABHUKB-PJCXSJFNSA-M
InChI=1S/C12H15NO5S3.Na/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6;/h5-7,10,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6-,7+,10-,21+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CP-81054 SODIUM
Common Name English
CP 81054 SODIUM
Preferred Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 6-(1-HYDROXYETHYL)-7-OXO-3-((TETRAHYDRO-1-OXIDO-3-THIENYL)THIO)-, MONOSODIUM SALT, (5R-(3(1S*,3R*),5.ALPHA.,6.ALPHA.(R*)))-
Systematic Name English
Code System Code Type Description
CAS
112294-82-3
Created by admin on Wed Apr 02 07:58:04 GMT 2025 , Edited by admin on Wed Apr 02 07:58:04 GMT 2025
PRIMARY
PUBCHEM
23666242
Created by admin on Wed Apr 02 07:58:04 GMT 2025 , Edited by admin on Wed Apr 02 07:58:04 GMT 2025
PRIMARY
FDA UNII
043J6GH6BA
Created by admin on Wed Apr 02 07:58:04 GMT 2025 , Edited by admin on Wed Apr 02 07:58:04 GMT 2025
PRIMARY