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Substance Name: Cefcanel daloxate [INN]
RN: 97275-40-6
UNII: D9693UHF82
InChIKey: AMMYEZPDRKXESR-XHSUIHOPSA-N

Note

  • Pro-drug to improve oral absorption of KY-087.

Molecular Formula

  • C27-H27-N5-O9-S3

Molecular Weight

  • 661.7343
 
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Names and Synonyms

Name of Substance

  • Cefcanel daloxate
  • Cefcanel daloxate [INN]

Synonyms

  • 2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cyclic 2,3-carbonate, ester with L-alanine
  • Cefcanel daloxate
  • Cefcanel daloxato
  • Cefcanel daloxato [INN-Spanish]
  • Cefcanelum daloxatum
  • Cefcanelum daloxatum [INN-Latin]
  • UNII-D9693UHF82

Systematic Names

  • 2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cyclic 2,3-carbonate, ester with L-alanine
  • L-Alanine, 2-((2-(((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy)carbonyl)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-2-oxo-1-phenylethyl ester, monohydrochloride, (6R-(6alpha,7beta(R*)))-

Registry Numbers

CAS Registry Number

  • 97275-40-6

FDA UNII

  • D9693UHF82

System Generated Number

  • 0097275406

Structure Descriptors

InChI

1S/C27H27N5O9S3/c1-12(28)24(35)41-20(15-7-5-4-6-8-15)21(33)29-18-22(34)32-19(25(36)38-9-17-13(2)39-27(37)40-17)16(10-42-23(18)32)11-43-26-31-30-14(3)44-26/h4-8,12,18,20,23H,9-11,28H2,1-3H3,(H,29,33)/t12-,18+,20+,23+/m0/s1

InChIKey

AMMYEZPDRKXESR-XHSUIHOPSA-N

Smiles

C[C@H](N)C(=O)O[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)OCC3=C(C)OC(=O)O3)CSc4nnc(C)s4)c5ccccc5