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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19N2O4S2.Na
Molecular Weight 438.496
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 6-(3-METHYL-5-PHENYLTHIOPHENE-4-CARBOXAMIDO) PENICILLANATE

SMILES

[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(SC=C3C)C4=CC=CC=C4)C([O-])=O

InChI

InChIKey=QLPHZIIRKHPVPG-DLZWMXSCSA-M
InChI=1S/C20H20N2O4S2.Na/c1-10-9-27-14(11-7-5-4-6-8-11)12(10)16(23)21-13-17(24)22-15(19(25)26)20(2,3)28-18(13)22;/h4-9,13,15,18H,1-3H3,(H,21,23)(H,25,26);/q;+1/p-1/t13-,15+,18-;/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 C20H19N2O4S2
Molecular Weight 415.506
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:24:09 GMT 2023
Edited
by admin
on Fri Dec 15 15:24:09 GMT 2023
Record UNII
1K9P6L7KZ0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 6-(3-METHYL-5-PHENYLTHIOPHENE-4-CARBOXAMIDO) PENICILLANATE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((4-METHYL-2-PHENYL-3-THIENYL)CARBONYL)AMINO)-7-OXO-, MONOSODIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(4-METHYL-2-PHENYL-3-THIOPHENECARBOXAMIDO)-7-OXO-, MONOSODIUM SA
Systematic Name English
Code System Code Type Description
CAS
24665-15-4
Created by admin on Fri Dec 15 15:24:09 GMT 2023 , Edited by admin on Fri Dec 15 15:24:09 GMT 2023
PRIMARY
FDA UNII
1K9P6L7KZ0
Created by admin on Fri Dec 15 15:24:09 GMT 2023 , Edited by admin on Fri Dec 15 15:24:09 GMT 2023
PRIMARY
PUBCHEM
133082528
Created by admin on Fri Dec 15 15:24:09 GMT 2023 , Edited by admin on Fri Dec 15 15:24:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE