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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18ClN2O4S2.K
Molecular Weight 416.985
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM PENICILLIN S

SMILES

[K+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CSCC=C(C)Cl)C([O-])=O

InChI

InChIKey=USSPXCHRNBVGOV-QQQUOLKDSA-M
InChI=1S/C14H19ClN2O4S2.K/c1-7(15)4-5-22-6-8(18)16-9-11(19)17-10(13(20)21)14(2,3)23-12(9)17;/h4,9-10,12H,5-6H2,1-3H3,(H,16,18)(H,20,21);/q;+1/p-1/t9-,10+,12-;/m1./s1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H18ClN2O4S2
Molecular Weight 377.887
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:57:43 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:43 GMT 2023
Record UNII
NV672VY7GD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM PENICILLIN S
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((((3-CHLORO-2-BUTENYL)THIO)ACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, MONOPOTASSIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Systematic Name English
PENICILLIN S POTASSIUM SALT [MI]
Common Name English
(2S,5R,6R)-6-((((3-CHLORO-2-BUTENYL)THIO)ACETYL)AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, POTASSIUM SALT
Systematic Name English
PENICILLIN S POTASSIUM
Common Name English
.GAMMA.-CHLOROCROTYLMERCAPTOMETHYLPENICILLIN POTASSIUM
Common Name English
POTASSIUM .GAMMA.-CHLOROCROTYLMERCAPTOMETHYLPENICILLINATE
Common Name English
Code System Code Type Description
MERCK INDEX
m386
Created by admin on Sat Dec 16 08:57:43 GMT 2023 , Edited by admin on Sat Dec 16 08:57:43 GMT 2023
PRIMARY Merck Index
CAS
525-87-1
Created by admin on Sat Dec 16 08:57:43 GMT 2023 , Edited by admin on Sat Dec 16 08:57:43 GMT 2023
PRIMARY
PUBCHEM
90478420
Created by admin on Sat Dec 16 08:57:43 GMT 2023 , Edited by admin on Sat Dec 16 08:57:43 GMT 2023
PRIMARY
FDA UNII
NV672VY7GD
Created by admin on Sat Dec 16 08:57:43 GMT 2023 , Edited by admin on Sat Dec 16 08:57:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE