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Substance Name: Vincaleukoblastine, 1-demethyl-
RN: 18172-50-4
InChIKey: OBEIXXHHUOSBLA-UQUCNHJPSA-N

Molecular Formula

  • C45-H56-N4-O9

Molecular Weight

  • 796.9564
 
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Names and Synonyms

Synonyms

  • 1-Demethylvincaleukoblastine
  • BRN 4227361
  • N-Deformylleurocristine
  • N-Deformylvincristine
  • N-Demethylvinblastine
  • N-Demethylvincaleukoblastine

Systematic Name

  • Vincaleukoblastine, 1-demethyl-

Registry Numbers

CAS Registry Number

  • 18172-50-4

System Generated Number

  • 0018172504

Structure Descriptors

InChI

1S/C45H56N4O9/c1-7-41(53)22-27-23-44(39(51)56-5,35-29(14-18-48(24-27)25-41)28-12-9-10-13-32(28)46-35)31-20-30-33(21-34(31)55-4)47-36-43(30)16-19-49-17-11-15-42(8-2,37(43)49)38(58-26(3)50)45(36,54)40(52)57-6/h9-13,15,20-21,27,36-38,46-47,53-54H,7-8,14,16-19,22-25H2,1-6H3/t27-,36+,37-,38+,41-,42+,43-,44-,45-/m0/s1

InChIKey

OBEIXXHHUOSBLA-UQUCNHJPSA-N

Smiles

CC(=O)O[C@@H]1[C@@](C(OC)=O)([C@@H]2Nc3c([C@@]42[C@@H]2[C@@]1(C=CC[N@@]2CC4)CC)cc(c(c3)OC)[C@@]1(c2c(CC[N@@]3C[C@@H](C1)C[C@@](O)(CC)C3)c1c([nH]2)cccc1)C(=O)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   Biochemical Pharmacology. Vol. 26, Pg. 1213, 1977.