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Substance Name: Benzylpenicillin S-sulfoxide
RN: 34104-15-9
InChIKey: FCZNNHHXCFARDY-WQRUCBPWSA-N

Molecular Formula

  • C16-H18-N2-O5-S

Molecular Weight

  • 350.3932
 
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Names and Synonyms

Name of Substance

  • Benzylpenicillin S-sulfoxide

Synonyms

  • 6beta-Phenylacetamidopenicillanic acid 1beta-oxide
  • EINECS 251-828-6

Systematic Name

  • (2S-(2alpha,4beta,5alpha,6beta))-3,3-Dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4-oxide

Registry Numbers

CAS Registry Number

  • 34104-15-9

System Generated Number

  • 0034104159

Structure Descriptors

InChI

1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-,24?/m1/s1

InChIKey

FCZNNHHXCFARDY-WQRUCBPWSA-N

Smiles

CC1([C@@H](N2[C@H](S1=O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C