
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)%
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5853-29-2 |
| Catalog No. | 2A-3177034 |
| Chinese Name | 盐酸吐根酚碱 |
| Synonyms | 10,11,7'-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 Formula | C28H40Cl2N2O4 |
| Molecular Weight | 539.53 |
| Purity | ≥95.0 (HPLC) |
| Appearance | powder |
| Storage Condition | room temperature |
| Packaging | III |
| Application | (-)-Cephaeline dihydrochloride is an enantiomer of Cephaeline dihydrochloride. Cephaeline dihydrochloride is a selective CYP2D6 inhibitor with an IC50 of 121 μM. |
| MDL Number | MFCD14702530 |
| 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 |
| 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-ILYWHXRNSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/177576_1_5853_29_2.pdf |
| Transport Info | Product name: Ipephene hydrochloride |
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