Vinblastine sulfate

C46H60N4O13SCAS 143-67-9909.06 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEsterEtherTertiary amine

Properties

Molecular formula
C46H60N4O13S
Molar mass
909.06 g/mol
Exact mass
908.3878 Da
Melting point
284–285 °C
Water solubility
≥ 10 g/L (24.5 °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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 98 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Vinblastine865-21-4Free base

Similar compounds

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 Vindoline2182-14-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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