Cephaeline hydrochloride

CAS

5853-29-2

Catalog Number

ACM5853292

Category

Main Products

Molecular Weight

Molecular Formula

C₂₈H₃₈N₂O₄.2ClH

MSDS COA Spec Sheet

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Specification

Synonyms

cephaelin hydrochloride;Cephaeline dihydrochloride;(1R)-1-[[(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-1,2,3,4-tetrahydro-7-methoxy-6-isoquinolinol hydrochloride;NSC 32944

IUPAC Name

(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

Canonical SMILES

CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.Cl.Cl

InChI Key

YAOHSWWVTZSRQM-JBKGYMEJSA-N

EC Number

227-463-3

Exact Mass

502.26000

What is the molecular formula of Cephaeline hydrochloride?

The molecular formula of Cephaeline hydrochloride is C28H40Cl2N2O4.

What are the synonyms for Cephaeline hydrochloride?

The synonyms for Cephaeline hydrochloride include CEPHAELINE DIHYDROCHLORIDE, CEPHAELINE HCL, and Cephaleine hydrochloride.

What is the molecular weight of Cephaeline hydrochloride?

The molecular weight of Cephaeline hydrochloride is 539.5 g/mol.

What is the IUPAC name of Cephaeline hydrochloride?

The IUPAC name of 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.

What is the InChIKey of Cephaeline hydrochloride?

The InChIKey of Cephaeline hydrochloride is YAOHSWWVTZSRQM-JBKGYMEJSA-N.

What is the Canonical SMILES of Cephaeline hydrochloride?

The Canonical SMILES of Cephaeline hydrochloride is CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.Cl.Cl.

What is the CAS number of Cephaeline hydrochloride?

The CAS number of Cephaeline hydrochloride is 5853-29-2.

What is the hydrogen bond donor count of Cephaeline hydrochloride?

The hydrogen bond donor count of Cephaeline hydrochloride is 4.

What is the hydrogen bond acceptor count of Cephaeline hydrochloride?

The hydrogen bond acceptor count of Cephaeline hydrochloride is 6.

What is the topological polar surface area of Cephaeline hydrochloride?

The topological polar surface area of Cephaeline hydrochloride is 63.2Å².