chempirical

Vinblastine sulfate

C46H60N4O13SCAS 143-67-9909.06 g/mol

Open in Covalent MOL file
OHNHNOOONHOOOOONOSOHOOH
AlcoholAlkeneEsterEtherTertiary amine

Properties

Molecular formula
C46H60N4O13S
Molar mass
909.06 g/mol
Exact mass
908.3878 Da
Melting point
284–285 °C
logP
3.34Crippen estimate
Polar surface area
228.7 Ų
H-bond donors / acceptors
5 / 14
Rotatable bonds
7
Stereocentres
S, R, S, R, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
143-67-9
SMILES
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O
InChIKey
KDQAABAKXDWYSZ-PNYVAJAMSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 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
  • Vincaleucoblastine sulfate
  • Vincaleukoblastine sulfate
  • Exal
  • VLB monosulfate
  • Velsar
  • Alkaban-AQ

Work with Vinblastine sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Vinblastine865-21-494 % similar Vincristine sulfate2068-78-289 % similar (+)-Vincristine57-22-784 % similar Vindesine sulfate59917-39-480 % similar Anhydrovinblastine38390-45-377 % similar 4′-Deoxy-20′,20′-difluoro-5′-norvincaleukoblastine162652-95-173 % similar Vinorelbine71486-22-172 % similar Navelbine125317-39-767 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook