Dicentrine
Properties
- Molecular formula
- C20H21NO4
- Molar mass
- 339.39 g/mol
- Exact mass
- 339.1471 Da
- Melting point
- 168–169 °C
- logP
- 3.18Crippen estimate
- Polar surface area
- 40.2 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
517-66-8SMILES
COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3InChIKey
YJWBWQWUHVXPNC-AWEZNQCLSA-NInChI
InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (7aS)-
- 6Aα-Aporphine, 9,10-dimethoxy-1,2-(methylenedioxy)-
- 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)-
- (7aS)-6,7,7a,8-Tetrahydro-10,11-dimethoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline
- Eximine
- 9,10-Dimethoxy-1,2-(methylenedioxy)-6aα-aporphine
- 1,2-(Methylenedioxy)-9,10-dimethoxy-6aα-aporphine
- O,N-Dimethyllitseferine
- (+)-Dicentrine
- d-Dicentrine
- S-(+)-Dicentrine
Work with Dicentrine
Similar compounds
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds