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Substance Name: Vinfosiltine [INN]
RN: 123286-00-0
UNII: AW1UYE6Q9I
InChIKey: BOELCLFVOBIXIF-MAKKXPIGSA-N

Molecular Formula

  • C51-H72-N5-O10-P

Molecular Weight

  • 946.1288
 
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Names and Synonyms

Name of Substance

  • Vinfosiltine [INN]

Synonyms

  • (23(S))-4-Deacetyl-3-de(methoxycarbonyl)-3-((2-methyl-1-phosphonopropyl)carbamoyl)vincaleukoblastine, diethyl ester
  • S 12363
  • S12363
  • UNII-AW1UYE6Q9I
  • Vinfosiltine

Systematic Names

  • Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-((((1S)-1-(diethoxyphosphinyl)-2-methylpropyl)amino)carbonyl)-
  • Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-(((1-(diethoxyphosphinyl)-2-methylpropyl)amino)carbonyl)-, (3(S))-

Registry Numbers

CAS Registry Number

  • 123286-00-0

FDA UNII

  • AW1UYE6Q9I

System Generated Number

  • 0123286000

Structure Descriptors

InChI

1S/C51H72N5O10P/c1-10-47(60)27-32-28-50(46(59)64-9,40-34(19-23-55(29-32)30-47)33-17-14-15-18-37(33)52-40)36-25-35-38(26-39(36)63-8)54(7)43-49(35)21-24-56-22-16-20-48(11-2,42(49)56)44(57)51(43,61)45(58)53-41(31(5)6)67(62,65-12-3)66-13-4/h14-18,20,25-26,31-32,41-44,52,57,60-61H,10-13,19,21-24,27-30H2,1-9H3,(H,53,58)/t32-,41-,42-,43+,44+,47-,48+,49+,50-,51-/m0/s1

InChIKey

BOELCLFVOBIXIF-MAKKXPIGSA-N

Smiles

CCOP(=O)(OCC)[C@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4([C@H]23)[C@H]1N(C)c5cc(OC)c(cc45)[C@]6(C[C@H]7CN(CCc8c6[nH]c9ccccc89)C[C@](O)(CC)C7)C(=O)OC)C(C)C