Compound: syrosingopine
SMILES: O=C(Oc1c(OC)cc(C(=O)O[C@H]2[C@H](OC)[C@@H](C(=O)OC)[C@H]3C[C@@H]4c5[nH]c6cc(OC)ccc6c5CCN4C[C@H]3C2)cc1OC)OCC
InChIKey: ZCDNRPPFBQDQHR-SSYATKPKSA-N
Synonyms: syrosingopine, 84-36-6, Neoreserpan, Syringopine, Siringina, Isotense, Londomin, Carbethoxysyringoyl methylreserpate, SU 3118, Sirosingopina, Methyl carbethoxysyringoyl reserpate, Syrosingopinum, NSC-77030, DTXSID9023629, PPG46JF0EG, SU-3118, DTXCID703629, Yohimban-16-carboxylic acid, 18-((4-((ethoxycabonyl)oxy)-3,5-dimethoxybenzoyl)oxy)-11,17-dimethoxy-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, RefChem:932470, 201-527-0, Menatensina, Singoserp, Vegaserpina, Novoserpina, Siriserpin, Syrosingopin, Etropres, Serpagon, Siringone, Ipores, Nichiserpine-S, Elufinesin, Seringina, Siringal, Siroshuten, Revelox-wirkstoff, HF-41T, NSC77030, MFCD00017411, Syrosingopine (Su-3118), Methyl reserpate ester of syringic acid ethyl carbonate, Syringic acid ethyl carbonate ester with methyl reserpate, Zentos, Syrosingopine (>90%), NSC 77030, methyl (1R,15S,17R,18R,19S,20S)-17-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, Syrosingopinum [INN-Latin], Sirosingopina [INN-Spanish], Benzoic acid, 4-hydroxy-3,5-dimethoxy-, ethyl carbonate, ester with methyl reserpate, Reserpic acid, methyl ester, ester with 4-hydroxy-3,5-dimethoxybenzoic acid ethyl carbonate, C35H42N2O11, EINECS 201-527-0, UNII-PPG46JF0EG, CAS-84-36-6, ZCDNRPPFBQDQHR-SSYATKPKSA-N, Siringina (TN), Syrosingopine [INN:BAN:JAN:NF], NCGC00016336-01, Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate 4-hydroxy, Prestwick_457, Methyl 18-O-(4-ethoxycarbonyloxy-3,5-dimethoxybenzyoyl)reserpat, Prestwick3_000564, 18-O-(3,5-Dimethoxy-4-ethoxycarbonyloxybenzoyl)eserpsaeuremethylester, Syrosingopine (JAN/INN), SYROSINGOPINE [MI], SYROSINGOPINE [INN], SYROSINGOPINE [JAN], BSPBio_000348, Methyl 18beta-(4-(ethoxycarbonyloxy)-3,5-dimethoxybenzoyloxy)-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylat, MLS002153876, SCHEMBL219705, SYROSINGOPINE [MART.], SYROSINGOPINE [WHO-DD], BPBio1_000384, orb1297197, CHEMBL1399124, SCHEMBL30402336, CHEBI:32175, Syrosingopine - Bio-X trade mark, GLXC-06136, HMS2096B10, HMS2234L13, HY-N4115, Methyl 18.beta.-hydroxy-11,17.alpha.-dimethoxy-3.beta.,20.alpha.-yohimban-16.beta.-carboxylate 4-hydroxy, YOHIMBAN-16-CARBOXYLIC ACID, 18-((4-((ETHOXYCARBONYL)OXY)-3,5-DIMETHOXYBENZOYL)OXY)-11,17-DIMETHOXY-, METHYL ESTER, (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-, Tox21_110379, BDBM50606665, s9907, SU3118, AKOS037643554, CCG-208497, EBC-380088, FS65931, NCGC00179590-02, NCGC00179590-04, 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, 4-hydroxy-3,5-dimethoxybenzoate (ester) ethyl carbonate (ester), 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, 4-hydroxy-3,5-dimethoxybenzoate (ester) ethyl carbonate (ester) (8CI), AS-16863, BS300129, SMR001233230, CS-0032125, NS00038492, Methyl reserpate,5-dimethoxybenzoic acid ester, D01659, G12066, SR-01000838851, SR-01000838851-3, BRD-K14200658-001-02-6, Q27164011, Benzoic acid,5-dimethoxy-, ethyl carbonate, ester with methyl reserpate, WLN: T F6 D5 C666 EM ON&&TTTJ HO1 SOVR CO1 EO1 DOVO2& TO1 UVO1, methyl (4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl)oxy-dimethoxy-[?]carboxylate, Reserpic acid, ester with 4-hydroxy-3,5-dimethoxybenzoic acid ethyl carbonate, 3.beta., 18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, 4-hydroxy-3,5-dimethoxybenzoate (ester) ethyl carbonate (ester), 3.beta., 18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, ester with 4-hydroxy-3,5-dimethoxybenzoic acid ethyl carbonate, methyl (1R,15S,17R,18R,19S,20S)-17-(4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, methyl (1R,15S,17R,18R,19S,20S)-17-{4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyloxy}-6,18-dimethoxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate, methyl (1S,2R,3R,4aS,13bR,14aS)-3-((4-((ethoxycarbonyl)oxy)-3,5-dimethoxybenzoyl)oxy)-2,11-dimethoxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate, methyl (3beta,16beta,17alpha,18beta,20alpha)-18-({[4-{[(ethyloxy)carbonyl]oxy}-3,5-bis(methyloxy)phenyl]carbonyl}oxy)-11,17-bis(methyloxy)yohimban-16-carboxylate, Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-({4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl}oxy)-11,17-dimethoxyyohimban-16-carboxylate, Methyl 18beta-({4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl}oxy)-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate, Yohimban-16-carboxylic acid,5-dimethoxybenzoyl]oxy]-11,17-dimethoxy-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-
Theoretical properties:
molecular_formula: C35H42N2O11
molecular_weight: 666.7 g/mol
exact_mass: 666.27886016 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 13
heavy_atom_count: 48
topological_polar_surface_area: 144 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Syrosingopine is a yohimban alkaloid.
chembl: SYROSINGOPINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Syrosingopine is a drug, derived from reserpine. It is used (since about 1960) to treat hypertension.