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(+)-Vincristine

CAS Registry Number®

57-22-7

CAS Name

(+)-Vincristine

Molecular Formula

C46H56N4O10

Molecular Mass

824.96

Cite this Page

(+)-Vincristine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57-22-7 (retrieved 2024-11-23) (CAS RN: 57-22-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-220 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1

InChIKey

InChIKey=OGWKCGZFUXNPDA-CFWMRBGOSA-N

SMILES

C(C)[C@@]12[C@]3([C@@]4([C@]([C@](C(OC)=O)(O)[C@@H]1OC(C)=O)(N(C=O)C=5C4=CC(=C(OC)C5)[C@]6(C(OC)=O)C7=C(C=8C(N7)=CC=CC8)CC[N@@]9C[C@](C6)(C[C@](CC)(O)C9)[H])[H])CCN3CC=C2)[H]

Canonical SMILES

O=CN1C2=CC(OC)=C(C=C2C34CCN5CC=CC(CC)(C(OC(=O)C)C(O)(C(=O)OC)C13)C54)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CCN9CC(CC(O)(C9)CC)C6

Other Names for this Substance

  • Vincaleukoblastine, 22-oxo-
  • Leurocristine
  • 2H-3,7-Methanoazacycloundecino[5,4-b]indole, vincaleukoblastine deriv.
  • 1H-Indolizino[8,1-cd]carbazole, vincaleukoblastine deriv.
  • 22-Oxovincaleukoblastine

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Deleted or Replaced CAS Registry Numbers

28379-27-3, 1151994-99-8

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