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)-
Properties
- Molecular formula
- C37H42Cl2N2O6
- Molar mass
- 681.65 g/mol
- Exact mass
- 680.2420 Da
- Melting point
- 270 °C (decomposes)
- logP
- 7.70Crippen estimate
- Polar surface area
- 72.9 Ų
- H-bond donors / acceptors
- 1 / 8
- Rotatable bonds
- 3
- Stereocentres
- R, Sin SMILES atom order
Identifiers
CAS number
6078-17-7SMILES
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4.Cl.ClInChIKey
USRXDYNDPPUBSG-KKXMJGKMSA-NInChI
InChI=1S/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33;;/h6-11,18-21,28-29,40H,12-17H2,1-5H3;2*1H/t28-,29+;;/m0../s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Berbamine, dihydrochloride
- Berbaman-12-ol, 6,6′,7-trimethoxy-2,2′-dimethyl-, dihydrochloride
- 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, berbaman-12-ol deriv.
Work with 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)-
Similar compounds
Berbamine478-61-597 % similar
1-Isotetrandrine477-57-683 % similar
Tetrandrine518-34-383 % similar
Dauricine524-17-479 % similar
Daurisoline70553-76-376 % similar
Fangchinoline436-77-174 % similar
(-)-Neferine2292-16-274 % similar
(+)-Isoliensinine6817-41-071 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds