CAS Registry Number®
143-67-9
CAS Name
Vinblastine sulfate
Molecular Formula
C46H58N4O9.H2O4S
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
- Velban
- Velbe
- Vinblastine sulfate
- Vincaleucoblastine sulfate
- Vincaleukoblastine sulfate
- Exal
- VLB monosulfate
- Velsar
- Alkaban-AQ
