Jatrorrhizine chloride
Properties
- Molecular formula
- C20H20ClNO4
- Molar mass
- 373.83 g/mol
- Exact mass
- 373.1081 Da
- Melting point
- 208–210 °C
- logP
- 1.66Crippen estimate
- Polar surface area
- 48.0 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
6681-15-8SMILES
COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O.ClInChIKey
JKMUUZMCSNHBAX-UHFFFAOYSA-NInChI
InChI=1S/C20H19NO4.ClH/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3;/h4-5,8-11H,6-7H2,1-3H3;1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Dibenzo[a,g]quinolizinium, 5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-, chloride (1:1)
- Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy-, chloride
- Dibenzo[a,g]quinolizinium, 5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-, chloride
- Neprotine chloride
- NSC 645313
Work with Jatrorrhizine chloride
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.