Coptisine hydrochloride
Properties
- Molecular formula
- C19H14ClNO4
- Molar mass
- 355.77 g/mol
- Exact mass
- 355.0611 Da
- Melting point
- 218 °C
- logP
- -0.19Crippen estimate
- Polar surface area
- 40.8 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 0
Hazards
Danger
- H300+H330 Fatal if swallowed or if inhaled25% of notifiers
- H300 Fatal if swallowed25% of notifiers
- H301 Toxic if swallowed50% of notifiers
- H311 Toxic in contact with skin50% of notifiers
- H330 Fatal if inhaled75% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, P501
Identifiers
CAS number
6020-18-4SMILES
[Cl-].c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4InChIKey
LUXPUVKJHVUJAV-UHFFFAOYSA-MInChI
InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Bis[1,3]benzodioxolo[5,6-a:4′,5′-g]quinolizinium, 6,7-dihydro-, chloride (1:1)
- Bis[1,3]benzodioxolo[5,6-a:4′,5′-g]quinolizinium, 6,7-dihydro-, chloride
- Berbinium, 7,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-, chloride
- Coptisine chloride
Work with Coptisine hydrochloride
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.
Similar compounds
Epiberberine6873-09-280 % similar
Berberine hydrochloride633-65-878 % similar
Berberine2086-83-173 % similar
Palmatine chloride10605-02-467 % similar
Neutral berberine sulfate316-41-662 % similar
Palmatine3486-67-762 % similar
Berberine bisulfate633-66-960 % similar
Columbamine3621-36-153 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.