chempirical

Rauwolscine hydrochloride

C21H27ClN2O3CAS 6211-32-1390.91 g/mol

Open in Covalent MOL file
OOHNNHOHCl
AlcoholEsterTertiary amine

Properties

Molecular formula
C21H27ClN2O3
Molar mass
390.91 g/mol
Exact mass
390.1710 Da
Melting point
286 °C (decomposes)
logP
3.07Crippen estimate
Polar surface area
65.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
S, S, S, S, Sin SMILES atom order

Identifiers

CAS number
6211-32-1
SMILES
COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@@H]1O.Cl
InChIKey
PIPZGJSEDRMUAW-ZKKXXTDSSA-N
InChI
InChI=1S/C21H26N2O3.ClH/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;1H/t12-,15+,17+,18+,19+;/m1./s1

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

Names and synonyms

5 names
  • Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, hydrochloride (1:1), (16β,17α,20α)-
  • 20α-Yohimban-16β-carboxylic acid, 17α-hydroxy-, methyl ester, monohydrochloride
  • Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, monohydrochloride, (16β,17α,20α)-
  • α-Yohimbine hydrochloride
  • NSC 407307

Work with Rauwolscine hydrochloride

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

Yohimbine146-48-595 % similar Deserpidine131-01-155 % similar Ajmalicine483-04-550 % similar Tetrahydroalstonine6474-90-450 % similar Hirsuteine35467-43-747 % similar Geissoschizine methyl ether60314-89-846 % similar (-)-Reserpine50-55-546 % similar Syrosingopine84-36-641 % similar

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

Same formula

Yohimbine hydrochloride65-19-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook