Cephaeline dihydrochloride

Catalog Number	ACM3738703-1
CAS Number	3738-70-3
Structure
Synonyms	Cephaeline hydrochloride
Molecular Weight	539.5
InChI	InChI=1S/C28H38N2O4.2ClH/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;2*1H/t17-,20-,23+,24-;/m0./s1
InChI Key	YAOHSWWVTZSRQM-JBKGYMEJSA-N
Purity	95%+
Complexity	664
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	4
Exact Mass	538.2365131
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.Cl.Cl
Monoisotopic Mass	538.2365131
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	63.2 Ų

Custom Q&A

What is the chemical name of cephaeline hydrochloride?

The chemical name of cephaeline hydrochloride is (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.

What are some synonyms for cephaeline hydrochloride?

Some synonyms for cephaeline hydrochloride are cephaelin hydrochloride, Cephaeline dihydrochloride, NSC 32944, Cephaeline HCl salt, and others.

What is the CAS number for cephaeline hydrochloride?

The CAS number for cephaeline hydrochloride is 5853-29-2.

What is the molecular formula of cephaeline hydrochloride?

The molecular formula of cephaeline hydrochloride is C28H39ClN2O4.

What is the molecular weight of cephaeline hydrochloride?

The molecular weight of cephaeline hydrochloride is 503.08.

In what type of solvent is cephaeline hydrochloride soluble?

Cephaeline hydrochloride is soluble in DMSO (Dimethyl sulfoxide).

What is the storage temperature recommended for cephaeline hydrochloride?

The recommended storage temperature for cephaeline hydrochloride is 4°C, and it should be protected from light.

What is the toxicity of cephaeline hydrochloride?

The LD50 oral toxicity in mouse for cephaeline hydrochloride is 74970ug/kg.

What is the biological activity of cephaeline dihydrochloride?

Cephaeline dihydrochloride is a selective CYP2D6 inhibitor with an IC50 of 121 μM.

What is the target enzyme for cephaeline dihydrochloride and what are its IC50 and Ki values?

The target enzyme for cephaeline dihydrochloride is CYP2D6, with an IC50 of 121 μM and a Ki value of 54 μM.

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