Structure

Cephaeline hydrochloride

CAS
3738-70-3
Catalog Number
ACM3738703
Category
Inhibitors
Molecular Weight
539.53
Molecular Formula
C28H40Cl2N2O4

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Specification

Description
Cephaeline hydrochloride ((-)-Cephaeline hydrochloride) is a phenolic alkaloid in Indian Ipecac roots. Cephaeline hydrochloride exhibits potent inhibition of both Zika virus (ZIKV) and Ebola virus (EBOV) infections.
Synonyms
CEPHAELINE HYDROCHLORIDE
Canonical SMILES
OC1=CC2=C([C@@H](C[C@@H]3[C@@H](CC)CN4CCC5=CC(OC)=C(OC)C=C5[C@]4([H])C3)NCC2)C=C1OC.[H]Cl
Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Shipping
Can be shipped at room temperature, where not in use may vary.
Source
Plantsother families
What is the molecular formula of Cephaeline hydrochloride?

The molecular formula of Cephaeline hydrochloride is C28H40Cl2N2O4.

What are some synonyms of Cephaeline hydrochloride?

Some synonyms of Cephaeline hydrochloride are CEPHAELINE DIHYDROCHLORIDE, CEPHAELINE HYDROCHLORIDE, and (-)-Cephaeline dihydrochloride.

When was Cephaeline hydrochloride first created?

Cephaeline hydrochloride was first created on December 12, 2007.

What is the IUPAC name for Cephaeline hydrochloride?

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.

What is the InChIKey for Cephaeline hydrochloride?

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

What is the Canonical SMILES representation of Cephaeline hydrochloride?

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

What is the molecular weight of Cephaeline hydrochloride?

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

How many hydrogen bond donor counts are there in Cephaeline hydrochloride?

There are 4 hydrogen bond donor counts in Cephaeline hydrochloride.

What is the heavy atom count of Cephaeline hydrochloride?

The heavy atom count of Cephaeline hydrochloride is 36.

What is the topological polar surface area of Cephaeline hydrochloride?

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

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