Compound: Methoserpidine
SMILES: O=C(O[C@H]1[C@H](OC)[C@@H](C(=O)OC)[C@H]2C[C@@H]3c4[nH]c5ccc(cc5c4CCN3C[C@H]2C1)OC)c6cc(OC)c(OC)c(c6)OC
InChIKey: ULBNWNUHGJLQHO-VKMIBBQISA-N
Synonyms: Methoserpidine, Decaserpyl, Neoserpin, Resertene, Tenserpina, 10-Methoxydeserpidine, Minoran, Metoserpidina, Decaserpil, Decaserpin, Decaserpine, Decoserpyl, Decaserpyl plus, Deserpidine, 10-methoxy-, Methoserpidinum, Deaserpyl, 10-MD, Methoserpidinum [INN-Latin], Metoserpidina [INN-Spanish], R 694, Methoserpidine [INN:BAN:DCF], EINECS 212-733-5, (-)-10-Methoxydeserpidine, UNII-8F8C1JQH53, NSC 169423, 8F8C1JQH53, Methoserpidine (INN), Canescine 10-methoxyderivative, NSC-169423, METHOSERPIDINE [INN], DESERPIDINE 10-METHOXYDESERPIDINE, METHOSERPIDINE [MART.], METHOSERPIDINE [WHO-DD], R-694, 10-Methoxy-11-desmethoxyreserpine, Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, DESERPIDINE 10-METHOXYDESERPIDINE [MI], Methoserpidinum (INN-Latin), Metoserpidina (INN-Spanish), 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-10,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), 3.beta.,20.alpha.-Yohimban-16.beta.-carboxylic acid, 18.beta.-hydroxy-10,17.alpha.-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-10,17alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), METHOSERPIDINE (MART.), methyl (1R,15S,17R,18R,19S,20S)-7,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo(11.8.0.0^(2,10).0^(4,9).0^(15,20))henicosa-2(10),4,6,8-tetraene-19-carboxylate, methyl (1R,15S,17R,18R,19S,20S)-7,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate, YOHIMBAN-16-CARBOXYLIC ACID, 10,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)-, METHYL ESTER, (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-, Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-, Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, RefChem:157028, C02AA06, 3-.beta.,20-.alpha.-Yohimban-16-.beta.-carboxylic acid, 18-.beta.-hydroxy-10,17-.alpha.-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate, 212-733-5, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-10,17-alpha-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate, 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-10,17alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester) (8CI), Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-(9CI), ULBNWNUHGJLQHO-UHFFFAOYSA-N, 865-04-3, orb1701938, SCHEMBL2109831, CHEMBL3989541, SCHEMBL30070975, CHEBI:135848, ULBNWNUHGJLQHO-VKMIBBQISA-N, DTXSID001024699, AKOS040747150, DB13631, CS-0081573, NS00042536, D07166, Q3333696
Theoretical properties:
molecular_formula: C33H40N2O9
molecular_weight: 608.7 g/mol
exact_mass: 608.27338086 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 10
heavy_atom_count: 44
topological_polar_surface_area: 118 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Methoserpidine is a yohimban alkaloid.
chembl: METHOSERPIDINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Methoserpidine is an antihypertensive drug related to reserpine.