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Cefoxitin

CAS Registry Number®

35607-66-0

CAS Name

Cefoxitin

Molecular Formula

C16H17N3O7S2

Molecular Mass

427.45

Cite this Page

Cefoxitin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35607-66-0 (retrieved 2024-12-22) (CAS RN: 35607-66-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    149-150 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1

InChIKey

InChIKey=WZOZEZRFJCJXNZ-ZBFHGGJFSA-N

SMILES

N(C(CC1=CC=CS1)=O)[C@@]2(OC)[C@@]3(N(C2=O)C(C(O)=O)=C(COC(N)=O)CS3)[H]

Canonical SMILES

O=C(OCC1=C(C(=O)O)N2C(=O)C(OC)(NC(=O)CC=3SC=CC3)C2SC1)N

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7S)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, (6R-cis)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, (6R,7S)-
  • (6R,7S)-3-[[(Aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Cefoxitin

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Deleted or Replaced CAS Registry Numbers

39951-67-2

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.