chempirical

Lycorine hydrochloride

C16H18ClNO4CAS 2188-68-3323.77 g/mol

Open in Covalent MOL file
HClOHNOHOO
AcetalAlcoholAlkeneEtherTertiary amine

Properties

Molecular formula
C16H18ClNO4
Molar mass
323.77 g/mol
Exact mass
323.0924 Da
Melting point
206 °C
logP
1.17Crippen estimate
Polar surface area
62.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0
Stereocentres
S, S, S, Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
2188-68-3
SMILES
Cl.O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@@H]1O)[C@H]23)OCO4
InChIKey
VUVNTYCHKZBOMV-NVJKKXITSA-N
InChI
InChI=1S/C16H17NO4.ClH/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19;/h3-5,11,14-16,18-19H,1-2,6-7H2;1H/t11-,14-,15+,16+;/m0./s1

Weigh it out

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

Names and synonyms

5 names
  • 1H-[1,3]Dioxolo[4,5-J]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 2,4,5,7,12B,12C-hexahydro-, hydrochloride (1:1), (1S,2S,12bs,12cs)-
  • Lycoran-1α,2β-diol, 3,3a-didehydro-, hydrochloride
  • 1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 2,4,5,7,12b,12c-hexahydro-, hydrochloride, (1S,2S,12bS,12cS)-
  • Galanthan-1,2-diol, 3,12-didehydro-9,10-[methylenebis(oxy)]-, hydrochloride, (1α,2β)-
  • Licorin hydrochloride

Work with Lycorine 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

Lycorine476-28-894 % similar Chelidonine476-32-431 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook