chempirical

Catharanthine

C21H24N2O2CAS 2468-21-5336.44 g/mol

Open in Covalent MOL file
NHNOO
AlkeneEsterTertiary amine

Properties

Molecular formula
C21H24N2O2
Molar mass
336.44 g/mol
Exact mass
336.1838 Da
Melting point
126–128 °C
logP
3.18Crippen estimate
Polar surface area
45.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
2468-21-5
SMILES
CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13
InChIKey
CMKFQVZJOWHHDV-NQZBTDCJSA-N
InChI
InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (2α,5β,6α,18β)-
  • 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole, ibogamine-18-carboxylic acid deriv.
  • (+)-Catharanthine
  • Catharanthine, (+)-
  • Catharanthin
  • (+)-3,4-Didehydrocoronaridine

Work with Catharanthine

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

Ajmalicine483-04-539 % similar Tetrahydroalstonine6474-90-439 % similar Geissoschizine methyl ether60314-89-839 % similar Anhydrovinblastine38390-45-338 % similar Yohimbine146-48-537 % similar Hirsuteine35467-43-737 % similar Rauwolscine hydrochloride6211-32-136 % similar Yohimbine hydrochloride65-19-036 % similar

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

Same formula

Tabersonine4429-63-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia