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Substance Name: Vincaleukoblastine, desacetyl-, sulfate
RN: 19694-26-9
InChIKey: VSMLZADJIZSDKN-MEFFJABKSA-N

Molecular Formula

  • C44-H55-N4-O8.H2-O4-S

Molecular Weight

  • 867.024
 
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Names and Synonyms

Synonyms

  • Desacetyl VLB Sulfate
  • Desacetylvincaleukoblastine sulfate

Systematic Name

  • Vincaleukoblastine, desacetyl-, sulfate

Registry Numbers

CAS Registry Number

  • 19694-26-9

Related Registry Number

  • 3352-69-0 (Parent)

System Generated Number

  • 0019694269

Molecular Formulas

Molecular Formula

  • C44-H55-N4-O8.H2-O4-S

Molecular Formula Fragments

  • C44-H55-N4-O8
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C44H56N4O8.H2O4S/c1-7-40(52)22-26-23-43(38(50)55-5,34-28(14-18-47(24-26)25-40)27-12-9-10-13-31(27)45-34)30-20-29-32(21-33(30)54-4)46(3)36-42(29)16-19-48-17-11-15-41(8-2,35(42)48)37(49)44(36,53)39(51)56-6;1-5(2,3)4/h9-13,15,20-21,26,35-37,45,49,52-53H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t26-,35+,36-,37-,40+,41-,42?,43+,44+;/m1./s1

InChIKey

VSMLZADJIZSDKN-MEFFJABKSA-N

Smiles

O(C(=O)[C@@]1([C@@H]2N(c3c([C@@]42[C@@H]2[C@@]([C@H]1O)(CC)C=CC[N@@]2CC4)cc(c(c3)OC)[C@@]1(c2[nH]c3c(c2CC[N@@]2C[C@@H](C1)C[C@@](O)(CC)C2)cccc3)C(=O)OC)C)O)C.S(=O)(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 5mg/kg (5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) "Catharanthus Alkaloids," Taylor, W.I., and N.R. Farnsworth, eds., New York, Marcel Dekker, 1975Vol. -, Pg. 72, 1975.