Vincristine sulfate

C46H58N4O14SCAS 2068-78-2923.04 g/mol

Open in Covalent MOL file
HONHNOOONOHOOOOONOSOOHHO
AlcoholAlkeneAmideEsterEtherTertiary amine

Properties

Molecular formula
C46H58N4O14S
Molar mass
923.04 g/mol
Exact mass
922.3670 Da
logP
2.86Crippen estimate
Polar surface area
245.8 Ų
H-bond donors / acceptors
5 / 14
Rotatable bonds
8
Stereocentres
S, R, S, R, S, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2068-78-2
SMILES
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[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
AQTQHPDCURKLKT-PNYVAJAMSA-N
InChI
InChI=1S/C46H56N4O10.H2O4S/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;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1

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Names and synonyms

16 names · show all
  • Leurocristine sulfate
  • Vincaleukoblastine, 22-oxo-, sulfate (1:1) (salt)
  • NSC 67574
  • Oncovin
  • Onkovin
  • Vincasar PFS
  • Kyocristine
  • Vincrisul
  • VCR sulfate
  • Lilly 37231
  • Novopharm
  • Marqibo
  • Vincristine hydrogen sulfate
  • Vincristine sulfate liposome injection
  • Vincaleukoblastine, 22-oxo-, sulfate (1:1)
  • Leurocristine, sulfate (1:1) (salt)

Work with Vincristine 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.

(+)-Vincristine57-22-7Free base

Similar compounds

Vinblastine sulfate143-67-989 % similar Vinblastine865-21-484 % similar Vindesine sulfate59917-39-472 % similar Anhydrovinblastine38390-45-368 % similar 4′-Deoxy-20′,20′-difluoro-5′-norvincaleukoblastine162652-95-165 % similar Vinorelbine71486-22-164 % similar Navelbine125317-39-760 % similar Vindoline2182-14-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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