(6R,7S)-3-(Hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS No. 54333-94-7

(6R,7S)-3-(Hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Basic Information

CAS Number

54333-94-7

Molecular Formula

C15H16N2O6S2

Molecular Weight

384.44 g/mol

AD

Basic Physical Properties

Boiling Point

790.2°C at 760 mmHg

Density

1.62

Flash Point

431.7°C

Refractive Index

1.703

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

InChI

InChI=1S/C15H16N2O6S2/c1-23-15(16-10(19)5-9-3-2-4-24-9)13(22)17-11(12(20)21)8(6-18)7-25-14(15)17/h2-4,14,18H,5-7H2,1H3,(H,16,19)(H,20,21)/t14-,15+/m1/s1

InChIKey

ZTFUMAYWSRFLRO-CABCVRRESA-N

LogP

-0.0043999999999997375

Topological Polar Surface Area

116.17000000000002 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

640

Synonyms & References

English

  • EINECS 259-108-3
  • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(HYDROXYMETHYL)-7-METHOXY-8-OXO-7-((2-(2-THIENYL)ACETYL)AMINO)-, (6R,7S)-
  • (6R,7S)-3-(Hydroxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • JL7RQB0I8T
  • (6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R-cis)-3-(Hydroxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • Decarbamylcefoxitin
  • Decarbamoylcefoxitin
  • SCHEMBL5681385
  • 54333-94-7
  • (6R,7S)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Q27281559
  • CEFOXITIN SODIUM IMPURITY A [EP IMPURITY]
  • UNII-JL7RQB0I8T
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-(hydroxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-,(6R,7S)-
  • (6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Cefoxitin

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