Mefeserpine

methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[2-(4-methoxyphenoxy)acetyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Also Known As: Mefeserpine|Mefeserpina|Mefeserpinum|Methoxyphenoserpine|Mefeserpine [INN]|METHOXYFENOSERPIN|Tox21_112564|Methyl 18-O-((p-methoxyphenoxy)acetyl)reserpat|NCGC00167569-01|CAS-3735-85-1|Reserpic acid, methyl ester, (p-methoxyphenoxy)acetate|J2.390.082C|Methyl reserpate ester of (p-methoxyphenoxy)acetic acid|methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[2-(4-methoxyphenoxy)acetyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate|3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, (p-methoxyphenoxy)acetate (ester)|methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[2-(4-meth|Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(((4-methoxyphenoxy)acetyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-|(3beta,20alpha)-11,17alpha-Dimethoxy-18beta-[(4-methoxyphenoxy)acetoxy]yohimban-16beta-carboxylic acid methyl ester|3.beta.,20.alpha.-Yohimban-16.beta.-carboxylic acid, 18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, (p-methoxyphenoxy)acetate (ester)|methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[2-(4-methoxyphenoxy)acetyl]oxy}-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate|Methyl 11,17alpha-dimethoxy-18beta-{[(4-methoxyphenoxy)acetyl]oxy}-3beta,20alpha-yohimban-16beta-carboxylate|Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(4-methoxyphenoxy)acetyl]oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-

Molecular Formula	C32H38N2O8
Molecular Weight	578.2628 g/mol
LogP	3.9191
Topological Polar Surface Area	108.55 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	578.2628
Monoisotopic Mass	578.2628
Heavy Atoms	42
Complexity	1436.2885

Chemical Identifiers

CAS Number	3735-85-1
SMILES	CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)COC6=CC=C(C=C6)OC