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Cephaeline Hydrochloride structure, CAS 5853-29-2

Cephaeline Hydrochloride

CAS Number5853-29-2

Synonyms10,11,7'-Trimethoxy-emetan-6'-ol,Hydrochlorid; cephaeline dihydrochloride; 10,11,7'-trimethoxy-emet-1'-ene-9,6'-diol; Alangicine; 10,11,7'-trimethoxy-emetan-6'-ol,dihydrochloride; 10,11,7'-Trimethoxy-emetan-6'-ol,Dihydrochlorid; EINECS 227-463-3; (-)-Cephaeline (dihydrochloride)

Molecular FormulaC28H40Cl2N2O4

Molecular Weight539.53

Purity≥95.0 (HPLC)%

Density

Boiling Point

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-3177034 Purity: ≥95.0 (HPLC)%
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Quality Control of [ 5853-29-2 ] Purity: ≥95.0 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number5853-29-2
Catalog No.2A-3177034
Chinese Name盐酸吐根酚碱
Synonyms10,11,7'-Trimethoxy-emetan-6'-ol,Hydrochlorid; cephaeline dihydrochloride; 10,11,7'-trimethoxy-emet-1'-ene-9,6'-diol; Alangicine; 10,11,7'-trimethoxy-emetan-6'-ol,dihydrochloride; 10,11,7'-Trimethoxy-emetan-6'-ol,Dihydrochlorid; EINECS 227-463-3; (-)-Cephaeline (dihydrochloride)
Molecular FormulaC28H40Cl2N2O4
Molecular Weight539.53
Purity≥95.0 (HPLC)
Appearancepowder
Storage Conditionroom temperature
PackagingIII
Application(-)-Cephaeline dihydrochloride is an enantiomer of Cephaeline dihydrochloride. Cephaeline dihydrochloride is a selective CYP2D6 inhibitor with an IC50 of 121 μM.
MDL NumberMFCD14702530
SMILES[Cl-].[Cl-].[N+H]21C(CC([C@H](C2)CC)C[C@H]4[N+H2]CCc5c4cc(c(c5)O)OC)c3c(cc(c(c3)OC)OC)CC1
InChI1S/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 KeyYAOHSWWVTZSRQM-ILYWHXRNSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbols6.1(b)
MSDSmsds/177576_1_5853_29_2.pdf
Transport InfoProduct name: Ipephene hydrochloride
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