chempirical

Yohimbine

C21H26N2O3CAS 146-48-5354.45 g/mol

Open in Covalent MOL file
OOHNNHO
AlcoholEsterTertiary amine

Properties

Molecular formula
C21H26N2O3
Molar mass
354.45 g/mol
Exact mass
354.1943 Da
Melting point
241 °C
logP
2.65Crippen estimate
Polar surface area
65.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
R, S, S, R, Sin SMILES atom order

Identifiers

CAS number
146-48-5
SMILES
COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O
InChIKey
BLGXFZZNTVWLAY-SCYLSFHTSA-N
InChI
InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Yohimbol-16α-carboxylic acid, methyl ester
  • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
  • Aphrodine
  • Aphrosol
  • Corynine
  • Quebrachine
  • Yohimbic acid methyl ester
  • Quebrachin
  • Yohimbin
  • (+)-Yohimbine
  • trans-Quinolizidine yohimbine
  • Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16α,17α)-
  • Yohimban-16α-carboxylic acid, 17α-hydroxy-, methyl ester

Work with Yohimbine

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

Rauwolscine hydrochloride6211-32-195 % similar Yohimbine hydrochloride65-19-095 % similar Deserpidine131-01-157 % similar Ajmalicine483-04-552 % similar Tetrahydroalstonine6474-90-452 % similar Hirsuteine35467-43-749 % similar Geissoschizine methyl ether60314-89-848 % similar (-)-Reserpine50-55-547 % similar

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

Same formula

Vincamine1617-90-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook