chempirical

Vincristine sulfate

C46H58N4O14SCAS 2068-78-2923.04 g/mol

Open in Covalent MOL file
OHNHNOOONOHOOOOONOSOHOOH
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

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

Weigh it out

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

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

Similar compounds

(+)-Vincristine57-22-794 % similar 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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook