U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38N2O4.2ClH
Molecular Weight 539.534
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEPHAELINE DIHYDROCHLORIDE

SMILES

Cl.Cl.[H][C@]4(C[C@H]1C[C@]2([H])N(CCC3=CC(OC)=C(OC)C=C23)C[C@@H]1CC)NCCC5=CC(O)=C(OC)C=C45

InChI

InChIKey=YAOHSWWVTZSRQM-JBKGYMEJSA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
CEPHAELINE DIHYDROCHLORIDE
Common Name English
EMETAN-6'-OL, 7',10,11-TRIMETHOXY-, DIHYDROCHLORIDE
Common Name English
CEPHAELINE HCL
Common Name English
7',10,11-TRIMETHOXYEMETAN-6'-OL DIHYDROCHLORIDE
Common Name English
6-ISOQUINOLINOL, 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-, HYDROCHLORIDE (1:2), (1R)-
Common Name English
(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 DIHYDROCHLORIDE
Common Name English
DESMETHYLEMETINE DIHYDROCHLORIDE
Common Name English
CEPHAELINE, DIHYDROCHLORIDE
Common Name English
NSC-32944
Code English
(-)-CEPHAELINE DIHYDROCHLORIDE
Common Name English
CEPHALEINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
23615629
Created by admin on Sat Dec 16 05:55:17 UTC 2023 , Edited by admin on Sat Dec 16 05:55:17 UTC 2023
PRIMARY
CAS
5853-29-2
Created by admin on Sat Dec 16 05:55:17 UTC 2023 , Edited by admin on Sat Dec 16 05:55:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
227-463-3
Created by admin on Sat Dec 16 05:55:17 UTC 2023 , Edited by admin on Sat Dec 16 05:55:17 UTC 2023
PRIMARY
NSC
32944
Created by admin on Sat Dec 16 05:55:17 UTC 2023 , Edited by admin on Sat Dec 16 05:55:17 UTC 2023
PRIMARY
FDA UNII
5QL8Q0680S
Created by admin on Sat Dec 16 05:55:17 UTC 2023 , Edited by admin on Sat Dec 16 05:55:17 UTC 2023
PRIMARY