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

CAS Registry Number®

4888-90-8

CAS Name

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

Molecular Formula

C16H18N2O6S

Molecular Mass

366.39

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-, 4-oxide, (2S,5R,6R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4888-90-8 (retrieved 2024-09-28) (CAS RN: 4888-90-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-168 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H18N2O6S/c1-16(2)12(15(21)22)18-13(20)11(14(18)25(16)23)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-,25?/m1/s1

InChIKey

InChIKey=DNPOVSLJNLLGMA-SJUANORRSA-N

SMILES

N(C(COC1=CC=CC=C1)=O)[C@H]2[C@@]3(N([C@@H](C(O)=O)C(C)(C)S3=O)C2=O)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)COC=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-[(2-phenoxyacetyl)amino]-, 4-oxide, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-, 4-oxide
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 4-oxide, [2S-(2α,5α,6β)]-
  • Penicillin V, S-oxide
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 4-oxide, (2S,5R,6R)-

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Deleted or Replaced CAS Registry Numbers

81373-29-7

CAS INSIGHTSTM
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