Nitrocefin | CAS No. 41906-86-9

Nitrocefin

Basic Information

CAS Number

41906-86-9

Molecular Formula

C21H16N4O8S2

Molecular Weight

516.5 g/mol

AD

Basic Physical Properties

Melting Point

103-113° (dec); mp 167-169° (dec) (Lee)

Specific Rotation

D20 -224° (c = 1.0 in dioxane)

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C=CC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O8S2/c26-16(9-14-2-1-7-34-14)22-17-19(27)23-18(21(28)29)12(10-35-20(17)23)4-3-11-5-6-13(24(30)31)8-15(11)25(32)33/h1-8,17,20H,9-10H2,(H,22,26)(H,28,29)/b4-3+/t17-,20-/m1/s1

InChIKey

LHNIIDJCEODSHA-OQRUQETBSA-N

LogP

4.10510

Complexity

991

Safety Information

View Safety Information

Sensitiveness

吸湿性

Synonyms & References

English

  • nitrocefin
  • 3-(2,4-DINITROSTYRYL)-(6R, 7R)-7-(2-THIENYLACETAMIDO)-CEPH-3-EM-4 CARBOXYLIC ACID, E-ISOMER
  • (6R)-3-[(E)-2-(2,4-Dinitrophenyl)ethenyl]-8-oxo-7α-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • EX-A7930
  • SCHEMBL132936
  • AS-76556
  • Nitrocefin [BAN]
  • BCP20283
  • UNII-EWP54G0J8F
  • BDBM50557068
  • (7R)-3-((E)-2,4-Dinitrostyryl)-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid
  • CHEMBL480517
  • (6R,7R)-7-[[(E)-4-(2,4-Dinitrophenyl)-2-(2-thienyl)but-3-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Q1993962
  • (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • EWP54G0J8F
  • CS-0031509
  • NS00072437
  • AKOS040744420
  • NITROCEFIN [MI]
  • 41906-86-9
  • DB11592
  • DTXSID401318525
  • HY-108913
  • (6R-(3(E),6alpha,7beta))-3-(2-(2,4-Dinitrophenyl)ethenyl)-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • Nitrocefin

MDL Number

MFCD12165893

Customs Code

29349990

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