6?-Chloropenicillanic acid S,S-dioxide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C8H10ClNO5S
Molecular Weight	267.687
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6?-Chloropenicillanic acid S,S-dioxide

Structure Search

SMILES

CC1(C)[C@@H](N2[C@@H]([C@@H](Cl)C2=O)S1(=O)=O)C(O)=O

InChI

InChIKey=FDCNRFPOQKKBGS-RVJQKOHUSA-N

InChI=1S/C8H10ClNO5S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)16(8,14)15/h3-4,6H,1-2H3,(H,12,13)/t3-,4-,6+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C8H10ClNO5S
Molecular Weight	267.687
Charge	0
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 `Wed Apr 02 17:51:17 GMT 2025` Edited by `admin` on `Wed Apr 02 17:51:17 GMT 2025`
Record UNII	CT5L6F3V5J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6?-Chloropenicillanic acid S,S-dioxide

Systematic Name

English

BRL-25248

Preferred Name

English

Penicillin Impurity 3

Common Name

English

(2S,5R,6S)-6-chloro-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systematic Name

English

BRL25248

Code

English

6?-Chloropenicillanic acid 1,1-dioxide

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-chloro-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R,6S)-

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-chloro-3,3-dimethyl-7-oxo-, 4,4-dioxide, [2S-(2?,5?,6?)]-

Systematic Name

English

Code System Code Type Description

FDA UNII

CT5L6F3V5J

Created by admin on Wed Apr 02 17:51:17 GMT 2025 , Edited by admin on Wed Apr 02 17:51:17 GMT 2025

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PUBCHEM

11108338

Created by admin on Wed Apr 02 17:51:17 GMT 2025 , Edited by admin on Wed Apr 02 17:51:17 GMT 2025

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CAS

76350-36-2

Created by admin on Wed Apr 02 17:51:17 GMT 2025 , Edited by admin on Wed Apr 02 17:51:17 GMT 2025

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