chempirical

Ajmaline

C20H26N2O2CAS 4360-12-7326.44 g/mol

Open in Covalent MOL file
NOHNHO
AlcoholTertiary amine

Properties

Molecular formula
C20H26N2O2
Molar mass
326.44 g/mol
Exact mass
326.1994 Da
Melting point
206 °C
logP
1.55Crippen estimate
Polar surface area
46.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
S, S, R, S, R, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
4360-12-7
SMILES
CC[C@H]1C2C[C@H]3[C@@H]4N(C)c5ccccc5C45C[C@@H](C2[C@H]5O)N3[C@@H]1O
InChIKey
CJDRUOGAGYHKKD-IWMNNKGHSA-N
InChI
InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11?,14-,15-,16?,17-,18+,19+,20?/m0/s1

Weigh it out

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

Names and synonyms

19 names · show all
  • Ajmalan-17,21-diol, (17R,21α)-
  • 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, ajmalan-17,21-diol deriv.
  • (17R,21α)-Ajmalan-17,21-diol
  • Tachmalin
  • Rauwolfine
  • Gilurytmal
  • Cardiorythmine
  • Raugalline
  • Rauwolfin
  • Ajmalin
  • Ignazin
  • Merabitol
  • Rhytmaton
  • Rytmalin
  • Siddiqui
  • Takycor
  • (+)-Ajmaline
  • Ritmos
  • NSC 15627

Work with Ajmaline

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

Same formula

Dihydroquinidine1435-55-8 Dihydroquinine522-66-7

Elsewhere

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