Apomorphine hydrochloride hemihydrate
Properties
- Molecular formula
- C17H20ClNO3
- Molar mass
- 321.80 g/mol
- Exact mass
- 321.1132 Da
- logP
- 2.45Crippen estimate
- Polar surface area
- 75.2 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 0
- Stereocentres
- Rin SMILES atom order
Hazards
Danger
- H301 Toxic if swallowed95% of notifiers
Aggregated from 40 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
41372-20-7SMILES
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl.OInChIKey
DQQCJDBYNZMPOA-FFXKMJQXSA-NInChI
InChI=1S/C17H17NO2.ClH.H2O/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;/h2-6,13,19-20H,7-9H2,1H3;1H;1H2/t13-;;/m1../s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-
- 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-
- 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-
- (R)-(-)-Apomorphine hydrochloride hemihydrate
Work with Apomorphine hydrochloride hemihydrate
Similar compounds
Isocorydine hydrochloride13552-72-246 % similar
(+)-Isocorydine475-67-242 % similar
Nuciferine475-83-239 % similar
Boldine476-70-038 % similar
(+)-Glaucine475-81-035 % similar
16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, hydrochloride (1:2), (4aS,16aR)-6078-17-734 % similar
Dicentrine517-66-833 % similar
Dauricine524-17-432 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds