3542-72-1 Purity
99.83%
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Specification
The molecular formula of Cephaeline hydrochloride is C28H40Cl2N2O4.
Some synonyms of Cephaeline hydrochloride are CEPHAELINE DIHYDROCHLORIDE, CEPHAELINE HYDROCHLORIDE, and (-)-Cephaeline dihydrochloride.
Cephaeline hydrochloride was first created on December 12, 2007.
The IUPAC name for Cephaeline hydrochloride is (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol;dihydrochloride.
The InChIKey for Cephaeline hydrochloride is YAOHSWWVTZSRQM-JBKGYMEJSA-N.
The Canonical SMILES representation of Cephaeline hydrochloride is CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)Cl.Cl.
The molecular weight of Cephaeline hydrochloride is 539.5 g/mol.
There are 4 hydrogen bond donor counts in Cephaeline hydrochloride.
The heavy atom count of Cephaeline hydrochloride is 36.
The topological polar surface area of Cephaeline hydrochloride is 63.2 Å2.