Sulbenicillin

CAS Registry Number®

41744-40-5

CAS Name

Sulbenicillin

Molecular Formula

C16H18N2O7S2

Molecular Mass

414.45

Cite this Page

Sulbenicillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34779-28-7 (retrieved 2024-12-22) (CAS RN: 41744-40-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10-,11+,14-/m1/s1

InChIKey

InChIKey=JETQIUPBHQNHNZ-NJBDSQKTSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC([C@H](S(=O)(=O)O)C3=CC=CC=C3)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)C(C=3C=CC=CC3)S(=O)(=O)O)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylsulfoacetyl)amino]-, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(2R)-phenylsulfoacetyl]amino]-, (2S,5R,6R)-
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • D-(-)-Sulbenicillin

View All

Deleted or Replaced CAS Registry Numbers

12772-42-8, 34779-28-7

CAS INSIGHTSTM
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