Reserpine
CAS Number: 50-55-5
Molecular Mass: 608.7 g/mol
Formula: C33H40N2O9
Smiles: COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
Synonymes:
Reserpine, reserpine, 50-55-5, Serpalan, Serpasil, Apoplon, Sandril, Serpivite, Alserin, Rau-Sed, (-)-Reserpine, Deserpine, Elserpine, Eskaserp, Hiserpia, Raunervil, Raupasil, Rausedil, Rausedyl, Rausingle, Rauwasedin, Reserpin, Reserpina, Reserpoid, Roxinoid, Serpanray, Resine, Rivasin, Serpate, Austrapine, Bioserpine, Carditivo, Carpacil, Carrserp, Enipresser, Escaspere, Eserpine, Helfoserpin, Hiposerpil, Interpina, Lemiserp, Loweserp, Maviserpin, Mayserpine, Mephaserpin, Neoserfin, Purserpine, Quiescin, Rauloydin, Raumorine, Raunorine, Rauserpine, Rauserpol, Rauwilid, Rauwipur, Rauwoleaf, Resedrex, Reserbal, Resercaps, Resercen, Reserfia, Reserlor, Reserpamed, Reserpene, Reserpex, Reserpil, Respital, Alkarau, Apsical, Banasil, Benazyl, Kitine, Raucap, Raugal, Raulen, Raupoid, Raurine, Rausan, Rautrin, Reserp, Restran, Riserpa, Crystoserpine, Klimanosid, Mallopress, Reserpinum, Gilucard, Hydropine, Hydroserp, Naquival, Rauwita, Recipin, Resaltex, Resedril, Serpiloid, Serpine, Serfin, Hydromox-R, Rese-lar, Diurese-R, Hydrosine 25, Hydroserpalan, Sedaraupin, Serolfia, Serpaloid, Serpasol, Serpentina, Serpicon, Serpen, Sertabs, Sertina, Diupres 250, Diupres 500, Vio-Serpine, Hydroserpine Plus, T-Serp, Chloroserp-250, Chloroserp-500, Chloroserpin-250, 3,4,5-Trimethoxybenzoyl methyl reserpate, Chloroserpine-500, Hydro-Reserpine-25, Hydro-Reserpine-50, ENT 50146, Diupres, NCI-C50157, H 520, DTXSID7021237, Serpasil premix, NSC-59272, Banisil, Hydropres, NSC-237659, 8B1QWR724A, NSC59272, ENT-50146, DTXCID201237, (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester, Reserpic acid methyl ester 3,4,5-trimethoxybenzoate (ester), Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, CHEBI:28487, methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, V Serp, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate, methyl (1R,15S,17R,18R,19S,20S)-6,18-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, (3beta,16beta,17alpha,18beta,20alpha)-11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester, methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-((3,4,5-trimethoxyphenyl)carbonyloxy)-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)-6,18-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)-6,18-dimethoxy-17-[(3,4,5-trimethoxyphenyl)carbonyloxy]-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 (3beta,16beta,17alpha,18beta,20alpha)-11,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)YOHIMBAN-16-CARBOXYLATE, RefChem:6196, C02AA02, 200-047-9, 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-methyl ester 3,4,5-trimethoxybenzoate (ester), methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-2(10),4(9),5,7-tetraene-19-carboxylate, Methyl (3R,16S,17R,18R,20S)-11,17-dimethoxy-18-(3,4,5-trimethoxybenzoyloxy)yohimban-16-carboxylate, Hypersil, Ascoserpina, Eskaserpine, Reserpanca, Hypersine, Idsoserp, Neoserp, Raudiford, Raudixoid, Rausedan, Rauvlid, Rawilid, Reserjen, Reserpal, Key-serpine, 3P Reserp, Neo-antitensol, Rauserpin-Alk, Ryser, V-Serp, Reserpidefe, Raunova, Residin, Serpivate, Reser-ar, MFCD00005091, Sedaraupina, Temposerpine, Eberpine, Raudixin, Reserpur, Residine, Resocalm, Resperine, Rezerpin, Sandron, Sedserp, Serfolia, Serpazol, Serpena, Serpentil, Serpogen, Serpoid, Serpone, Sertens, Triserpin, Unilord, Roxel, SK-Reserpine, Renese R, C33H40N2O9, CHEMBL772, Broserpine, R-e-s, Sederaupin, Serpaneurona, Tefaserpina, Tenserpinie, Tepserpine, Eberspine, Reserpka, Resiatric, Resperin, Rivased, Rolserp, Roxynoid, Serpazil, Serpedin, Serpentin, Serpipur, Serpyrit, Sertensin, Serpil, Tempo-Reserpina, Rcra waste number U200, .gamma.-Serpine, Metatensin #2, Metatensin #4, component of Naquival, component of Regroton, Hydropres 25, Hydropres 50, (1S,2R,3R,4aS,13bR,14aS)-methyl 2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate, Usaf cb-27, Yohimban-16-carboxylic acid,11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester,(3b,16b,17a,18b,20a)-, component of Renese R, component of Metatensin, NCGC00091250-04, l-Carpserp, component of Butiserpazide, Hydroserpine #1, Hydro-Fluserpine #1, l -Carpserp, Caswell No. 722A, Serp-AFD, Reserpina [INN-Spanish], 3,5-Trimethoxybenzoyl methyl reserpate, methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-bis(methyloxy)-18-({[3,4,5-tris(methyloxy)phenyl]carbonyl}oxy)yohimban-16-carboxylate, SMR000059122, Apoplon (TN), CCRIS 550, Serpine (pharmaceutical), HSDB 213, Methyl reserpate 3,5-trimethyloxybenzoic acid, 11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester, Methyl reserpate 3,5-trimethoxybenzoic acid ester, EINECS 200-047-9, RCRA waste no. U200, EPA Pesticide Chemical Code 123101, NSC 237659, BRN 0102014, UNII-8B1QWR724A, AI3-50146, Reserpine?, Reserpoid, , Serpasil, , Apoplon, , Sandril, , 50-55-5 (free), Reserpine CRS, Sermix, , WLN: T F6 D5 C666 EM ON&&TTTJ HO1 SOVR CO1 DO1 EO1& TO1 UVO1, Reserpine [USP:INN:BAN:JAN], CAS-50-55-5, Serpalan (TN), 3-.beta., 18-.beta.-hydroxy-11,17-.alpha.-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate (ester), 3.beta., 18.beta.-hydroxy-11,17.alpha.-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester), Benz[g]indolo[2, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2,11-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate, methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate, Yohimban-16-carboxylic acid,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-, Prestwick_147, Methyl reserpate 3,4,5-trimethoxybenzoic acid ester, Reserpine, 99%, Reserpine (Standard), Spectrum_000109, RESERPINE [INN], RESERPINE [JAN], RESERPINE [MI], 79 more names available, RESERPINE [HSDB], RESERPINE [IARC], Prestwick0_000875, Prestwick1_000875, Prestwick2_000875, Prestwick3_000875, Spectrum3_000894, Spectrum4_000989, Spectrum5_001415, RESERPINE [VANDF], RESERPINUM [HPUS], RESERPINE [MART.], R 0875, RESERPINE [USP-RS], RESERPINE [WHO-DD], RESERPINE [WHO-IP], SCHEMBL2589, Lopac0_000073, BSPBio_000949, KBioGR_001397, KBioSS_000549, 4-25-00-01319 (Beilstein Handbook Reference), methyl (1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-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 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate 3,4,5-trimethoxybenzoate (ester), methyl dimethoxy-(3,4,5-trimethoxybenzoyl)oxy-[?]carboxylate, MLS002154046, MLS006011754, DivK1c_000012, SPECTRUM1500526, Reserpine - Bio-X trade mark, SPBio_002870, Reserpine (JP18/USP/INN), BPBio1_001045, GTPL4823, MEGxp0_001904, orb1310288, orb3140072, RESERPINE [ORANGE BOOK], RESERPINE [EP MONOGRAPH], SCHEMBL29433537, ACon1_000086, HMS500A14, HY-N0480R, KBio1_000012, KBio2_000549, KBio2_003117, KBio2_005685, KBio3_001808, RESERPINE [USP MONOGRAPH], NINDS_000012, RESERPINUM [WHO-IP LATIN], UNIPRES COMPONENT RESERPINE, GLXC-06082, HMS1570P11, HMS1920P04, HMS2092G05, HMS2097P11, HMS2234E24, HMS3260O07, HMS3413D20, HMS3677D20, HMS3714P11, HMS3884I21, Pharmakon1600-01500526, DRALSERP COMPONENT RESERPINE, NAQUIVAL COMPONENT RESERPINE, REGROTON COMPONENT RESERPINE, HY-N0480, HYDROPRES COMPONENT RESERPINE, MSK10079, RENESE-R COMPONENT RESERPINE, Reserpine, Vetec(TM) reagent grade, RKL10049, HYDRAP-ES COMPONENT RESERPINE, Tox21_111107, Tox21_202395, Tox21_300537, Tox21_500073, BBL028800, BDBM50017712, CAM-AP-ES COMPONENT RESERPINE, EBC-11044, H.R.-50 COMPONENT RESERPINE, HB1895, METATENSIN COMPONENT RESERPINE, NSC237659, NSC757309, SALUTENSIN COMPONENT RESERPINE, SER-A-GEN COMPONENT RESERPINE, SER-AP-ES COMPONENT RESERPINE, STK801975, HYDROMOX R COMPONENT RESERPINE, AKOS000277559, DIUTENSEN-R COMPONENT RESERPINE, Tox21_111107_1, CCG-204168, CS-1913, DB00206, FR09862, HYDRO-RESERP COMPONENT RESERPINE, KS-5106, LP00073, NSC-757309, SDCCGSBI-0050061.P005, DEMI-REGROTON COMPONENT RESERPINE, IDI1_000012, NCGC00091250-01, NCGC00091250-02, NCGC00091250-03, NCGC00091250-05, NCGC00091250-06, NCGC00091250-07, NCGC00091250-08, NCGC00091250-09, NCGC00091250-10, NCGC00091250-12, NCGC00091250-14, NCGC00091250-25, NCGC00254489-01, NCGC00259944-01, NCGC00260758-01, 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester), AC-13142, AC-34405, BR164333, NCI60_004446, SBI-0050061.P004, SERPASIL-ESIDRIX COMPONENT RESERPINE, EU-0100073, NS00000355, Reserpine, crystallized, >=99.0% (HPLC), SW196458-3, UNM000011053801, EN300-84477, SERPASIL-APRESOLINE COMPONENT RESERPINE, C06539, D00197, AB01562943_01, AE-508/21131019, AJ-160/21107004, F814399, Q407841, BRD-K95921201-001-07-0, BRD-K95921201-001-12-0, BRD-K95921201-001-13-8, BRD-K95921201-001-14-6, BRD-K95921201-001-15-3, HYDROSERPINE PLUS (R-H-H) COMPONENT RESERPINE, Methyl reserpate, 3,4,5-Trimethoxybenzoic acid ester, Reserpine, certified reference material, TraceCERT(R), Z1251172867, Reserpine, European Pharmacopoeia (EP) Reference Standard, Reserpine Standard for LC-MS, analytical standard, for LC-MS, Reserpine, United States Pharmacopeia (USP) Reference Standard, Reserpine, Pharmaceutical Secondary Standard, Certified Reference Material, HYDRALAZINE HYDROCHLORIDE-HYDROCHLOROTHIAZIDE-RESERPINE COMPONENT RESERPINE, (1S,2R,3R,4aS,13bR,14aS)-methyl2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-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 (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateEE, methyl (1R,15S,17R,18R,19S,20S)-6,18-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(9),5,7-tetraene-19-carboxylate, METHYL (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-11,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)YOHIMBAN-16-CARBOXYLATE, methyl (4R)-11,17beta-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate, Methyl 11,17alpha-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate, METHYL 18.BETA.-HYDROXY-11,17.ALPHA.-DIMETHOXY-3.BETA.,20.ALPHA.-YOHIMBAN-16.BETA.-CARBOXYLATE 3,4,5-TRIMETHOXYBENZOATE (ESTER)., methyl(1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, NSC 59272, NSC 237659, Rausedil, (3|A, 16|A, 17|A, 18|A, 20|A)-11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Diethylene Glycol Monoethyl Ether | 298.15 | - | 3.433 | [413] |
| Diethylene Glycol Monoethyl Ether | 308.15 | - | 4.008 | [413] |
| Diethylene Glycol Monoethyl Ether | 318.15 | - | 4.82 | [413] |
| Diethylene Glycol Monoethyl Ether | 328.15 | - | 5.951 | [413] |
| Diethylene Glycol Monoethyl Ether | 338.15 | - | 6.929 | [413] |
| Ethanol | 298.15 | - | 0.09506 | [413] |
| Ethanol | 308.15 | - | 0.1282 | [413] |
| Ethanol | 318.15 | - | 0.1613 | [413] |
| Ethanol | 328.15 | - | 0.2075 | [413] |
| Ethanol | 338.15 | - | 0.2508 | [413] |
| Ethyl acetate | 298.15 | - | 3.221 | [413] |
| Ethyl acetate | 308.15 | - | 3.708 | [413] |
| Ethyl acetate | 318.15 | - | 4.347 | [413] |
| Ethyl acetate | 328.15 | - | 5.143 | [413] |
| Ethyl acetate | 338.15 | - | 6.078 | [413] |
| Ethylene Glycol | 298.15 | - | 0.577 | [413] |
| Ethylene Glycol | 308.15 | - | 0.7614 | [413] |
| Ethylene Glycol | 318.15 | - | 0.9972 | [413] |
| Ethylene Glycol | 328.15 | - | 1.217 | [413] |
| Ethylene Glycol | 338.15 | - | 1.516 | [413] |
| Isopropanol | 298.15 | - | 0.1922 | [413] |
| Isopropanol | 308.15 | - | 0.2473 | [413] |
| Isopropanol | 318.15 | - | 0.311 | [413] |
| Isopropanol | 328.15 | - | 0.3786 | [413] |
| Isopropanol | 338.15 | - | 0.4589 | [413] |
| Propylene Glycol | 298.15 | - | 0.238 | [413] |
| Propylene Glycol | 308.15 | - | 0.2773 | [413] |
| Propylene Glycol | 318.15 | - | 0.33 | [413] |
| Propylene Glycol | 328.15 | - | 0.3744 | [413] |
| Propylene Glycol | 338.15 | - | 0.442 | [413] |
| Water | 298.15 | - | 0.03271 | [413] |
| Water | 308.15 | - | 0.04198 | [413] |
| Water | 318.15 | - | 0.05253 | [413] |
| Water | 328.15 | - | 0.0633 | [413] |
| Water | 338.15 | - | 0.07455 | [413] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 4340.7725 |
| PMI2 | 15383.5216 |
| PMI3 | 17714.3590 |
| NPR1 | 0.2450 |
| NPR2 | 0.8684 |
| RadiusOfGyration | 5.5456 |
| InertialShapeFactor | 0.0002 |
| Eccentricity | 0.9695 |
| Asphericity | 0.4370 |
| SpherocityIndex | 0.2208 |
| PBF | 1.3133 |