Vinblastine sulfate

CAS Registry Number®

143-67-9
No image available.

CAS Name

Vinblastine sulfate

Molecular Formula

C46H58N4O9.H2O4S

Cite this Page

Vinblastine sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=143-67-9 (retrieved 2021-10-22) (CAS RN: 143-67-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284-285 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1

InChIKey

InChIKey=KDQAABAKXDWYSZ-PNYVAJAMSA-N

SMILES

C(C)[C@@]12[C@]3([C@@]4([C@]([C@](C(OC)=O)(O)[C@@H]1OC(C)=O)(N(C)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].S(=O)(=O)(O)O

Canonical SMILES

O=C(OC1C(O)(C(=O)OC)C2N(C3=CC(OC)=C(C=C3C42CCN5CC=CC1(CC)C54)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CCN9CC(CC(O)(C9)CC)C6)C)C.O=S(=O)(O)O

Other Names for this Substance

  • Vincaleukoblastine, sulfate (1:1) (salt)
  • 2H-3,7-Methanoazacycloundecino[5,4-b]indole, vincaleukoblastine deriv.
  • 1H-Indolizino[8,1-cd]carbazole, vincaleukoblastine deriv.
  • 29060LE
  • NSC 49842