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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 6α-Chloropenicillanic acid S,S-dioxide

SMILES

[H][C@@]12[C@@H](Cl)C(=O)N1[C@@H](C(O)=O)C(C)(C)S2(=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

Approval Year

Name Type Language
6α-Chloropenicillanic acid S,S-dioxide
Systematic 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
6α-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-(2α,5α,6α)]-
Systematic Name English
BRL-25248
Code English
Code System Code Type Description
FDA UNII
CT5L6F3V5J
Created by admin on Sat Dec 16 19:56:55 GMT 2023 , Edited by admin on Sat Dec 16 19:56:55 GMT 2023
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PUBCHEM
11108338
Created by admin on Sat Dec 16 19:56:55 GMT 2023 , Edited by admin on Sat Dec 16 19:56:55 GMT 2023
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CAS
76350-36-2
Created by admin on Sat Dec 16 19:56:55 GMT 2023 , Edited by admin on Sat Dec 16 19:56:55 GMT 2023
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