Allocryptopine
Properties
- Molecular formula
- C21H23NO5
- Molar mass
- 369.42 g/mol
- Exact mass
- 369.1576 Da
- Melting point
- 160.5 °C
- logP
- 2.85Crippen estimate
- Polar surface area
- 57.2 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
485-91-6SMILES
COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3InChIKey
HYBRYAPKQCZIAE-UHFFFAOYSA-NInChI
InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- [1,3]Benzodioxolo[5,6-e][2]benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-
- α-Fagarine
- 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methyl[1,3]benzodioxolo[5,6-e][2]benzazecin-14(6H)-one
- β-Homochelidonine
- α-Allocryptopine
- Thalictrimine
- Thalictrimine (C21 alkaloid)
- α-Allo-Cryptopine
Work with Allocryptopine
Similar compounds
Protopine130-86-981 % similar
Dihydroberberine483-15-852 % similar
Canadine522-97-449 % similar
(-)-Hydrastine118-08-142 % similar
5,6-Dimethoxy-1-indanone2107-69-941 % similar
(±)-Tetrahydropalmatine10097-84-441 % similar
Rotundine2934-97-641 % similar
D-Tetrahydropalmatine3520-14-741 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds