PENICILLIN S

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H19ClN2O4S2
Molecular Weight	378.895
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(Cl)=CCSCC(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O

InChI

InChIKey=ADIHZDIWDRJIOQ-IFABKDCLSA-N

InChI=1S/C14H19ClN2O4S2/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)/b7-4-/t9-,10+,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H19ClN2O4S2
Molecular Weight	378.895
Charge	0
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 `Mon Mar 31 22:24:16 GMT 2025` Edited by `admin` on `Mon Mar 31 22:24:16 GMT 2025`
Record UNII	B9405MYY5G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENICILLIN S

Common Name

English

.GAMMA.-CHLOROCROTYLMERCAPTOMETHYLPENICILLIN

Preferred Name

English

PENICILLIN S [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

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((2-((3-CHLORO-2-BUTEN-1-YL)THIO)ACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

B9405MYY5G

Created by admin on Mon Mar 31 22:24:16 GMT 2025 , Edited by admin on Mon Mar 31 22:24:16 GMT 2025

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PUBCHEM

90478421

Created by admin on Mon Mar 31 22:24:16 GMT 2025 , Edited by admin on Mon Mar 31 22:24:16 GMT 2025

PRIMARY

MERCK INDEX

m386

Created by admin on Mon Mar 31 22:24:16 GMT 2025 , Edited by admin on Mon Mar 31 22:24:16 GMT 2025

PRIMARY

Merck Index

CAS

575-54-2

Created by admin on Mon Mar 31 22:24:16 GMT 2025 , Edited by admin on Mon Mar 31 22:24:16 GMT 2025

PRIMARY

Related Record Type Details


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POTASSIUM PENICILLIN S

SALT/SOLVATE -> PARENT