Cefoxitin | CAS No. 35607-66-0

Cefoxitin

Basic Information

CAS Number

35607-66-0

Molecular Formula

C16H17N3O7S2

Molecular Weight

427.46 g/mol

AD

Basic Physical Properties

Melting Point

149-150℃

Boiling Point

843.4°C at 760 mmHg

Water Solubility

Predicted solubility in water is less than 0.2mg/ml

Flash Point

>110°(230°F)

Refractive Index

1.6390 (estimate)

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3

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

WZOZEZRFJCJXNZ-ZBFHGGJFSA-N

LogP

0.0986000000000008

pKa

2.2(at 25℃)

Topological Polar Surface Area

148.26000000000002 Ų

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

744

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 9 Class 9

Synonyms & References

English

  • CEPHOXITIN
  • Prestwick2_000832
  • C3598
  • Cefoxitin (USAN/INN)
  • (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 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)-
  • (6R,7S)-3-(Hydroxymethyl)-7-methoxy-8-oxo-7-[2-(2-thienyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid carbamate (ester)
  • Cefoxotin
  • DS-5384
  • Prestwick3_000832
  • 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)-
  • CHEMBL996
  • DTXSID1022764
  • (6R,7S)-3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • D02345
  • Mefoxitin
  • CFX
  • Cefoxitina
  • Spectrum 001399
  • (6R,7S)-3-[[(Aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic Acid
  • Spectrum4_000153
  • 3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid anion
  • Prestwick0_000832
  • Cefoxitinum
  • KBio2_007015
  • BSPBio_003101
  • CEFOXITIN [USP-RS]
  • EINECS 252-641-2
  • KBio3_002601
  • (6R,7S)-3-((carbamoyloxy)methyl)-7-methoxy-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • (6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

MDL Number

MFCD00072014

Customs Code

3003201300

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