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Substance Name: S 12363
RN: 123286-01-1
InChIKey: BZUUMJJIORUJAU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H72-N5-O10-P.x-H2-O4-S

Molecular Weight

  • 1044.21
 
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Names and Synonyms

Name of Substance

  • S 12363

Synonyms

  • S 12363
  • Servier-12363
  • Vinfosiline sulfate

Systematic Names

  • Vincaleukoblastine, O(sup 4)-deacetyl-3-de(methoxycarbonyl)-3-(((1-(diethoxyphosphinyl)-2-methylpropyl)amino)carbonyl)-, (3(S))-, sulfate (salt)
  • Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-(((1-(diethoxyphosphinyl)-2-methylpropyl)amino)carbonyl)-, (3(S))-, sulfate (salt)

Registry Numbers

CAS Registry Number

  • 123286-01-1

System Generated Number

  • 0123286011

Molecular Formulas

Molecular Formula

  • C51-H72-N5-O10-P.x-H2-O4-S

Molecular Formula Fragments

  • C51-H72-N5-O10-P
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C51H72N5O10P.H2O4S/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;1-5(2,3)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);(H2,1,2,3,4)

InChIKey

BZUUMJJIORUJAU-UHFFFAOYSA-N

Smiles

C1[N@@]2CC=C[C@@]3([C@@H]([C@@]([C@@H]4N(C)c5cc(OC)c(cc5[C@@]4(C1)[C@@H]23)[C@@]1(c2c(CC[N@@]3C[C@@](C[C@@H](C1)C3)(O)CC)c1ccccc1[nH]2)C(OC)=O)(O)C(=O)N[C@@H](C(C)C)P(OCC)(=O)OCC)O)CC.S(=O)(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 620ug/kg (0.62mg/kg)   Drugs of the Future. Vol. 16, Pg. 822, 1991.
rat LD50 intravenous 110ug/kg (0.11mg/kg)   Drugs of the Future. Vol. 16, Pg. 822, 1991.