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

CAS Registry Number®

4052-54-4
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CAS Name

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

Molecular Formula

C16H18N2O5S

Molecular Mass

350.39

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, 4-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4052-54-4 (retrieved 2024-07-07) (CAS RN: 4052-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    254 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=FCZNNHHXCFARDY-WQRUCBPWSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CC3=CC=CC=C3)=O)C2=O)(S(=O)C1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)CC=3C=CC=CC3)C2S(=O)C1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, 4-oxide
  • Penicillin G, 4-oxide
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2α,5α,6β)]-, 4-oxide
  • Penicillin G, S-oxide
  • Penicillin G sulfoxide

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Deleted or Replaced CAS Registry Numbers

81373-30-0