AG00ILKE

50-55-5 | Yohimban-16-carboxylic acid,11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester,(3b,16b,17a,18b,20a)-

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CAS Number	50-55-5
Catalog Number	AG00ILKE(AGN-PC-0S8LML)
Chemical Name	Yohimban-16-carboxylic acid,11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester,(3b,16b,17a,18b,20a)-
EC Number	200-047-9
IUPAC Name	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
InChI	InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
InChI Key	QEVHRUUCFGRFIF-MDEJGZGSSA-N
MDL Number	MFCD00005091
Molecular Formula	C33H40N2O9
Molecular Weight	608.6787
SMILES	C(OC)(=O)[C@H]1[C@]2(C[C@@]3(C4=C(C=5C(N4)=CC(OC)=CC5)CCN3C[C@]2(C[C@@H](OC(=O)C6=CC(OC)=C(OC)C(OC)=C6)[C@@H]1OC)[H])[H])[H]
UN Number	3077
UNII	8B1QWR724A
Synonyms	Raunervil, Raupasil, Rausedil, Rausedyl, Reserpine, Serpasil, Serpivite, V Serp, V-Serp, reserpine, 50-55-5, Serpalan, Serpasil, Serpivite, Apoplon, Alserin, Elserpine, Hiserpia, Hypersil, Raunervil, Raupasil, Rausedil, Rausedyl, Rauwasedin, Serpanray, Resine, Rivasin, Sandril, Serpate, Rau-Sed, Ascoserpina, Austrapine, Bioserpine, Enipresser, Eskaserpine, Helfoserpin, Hiposerpil, Maviserpin, Mayserpine, Mephaserpin, Purserpine, Rauserpine, Reserpamed, Reserpanca, Alkarau, Apsical, Banasil, Benazyl, Carditivo, Carrserp, Escaspere, Eserpine, Eskaserp, Hypersine, Idsoserp, Interpina, Lemiserp, Loweserp, Neoserfin, Neoserp, Quiescin, Raudiford, Raudixoid, Rauloydin, Raumorine, Raunorine, Raupoid, Raurine, Rausedan, Rauserpol, Rausingle, Rautrin, Rauvlid, Rauwilid, Rauwipur, Rauwoleaf, Rawilid, Resedrex, Reserbal, Resercaps, Resercen, Reserfia, Reserjen, Reserlor, Reserpal, Reserpene, Reserpex, Reserpil, Reserpina, Reserpoid, Respital, Restran, Riserpa, Roxinoid, Kitine, Raucap, Raugal, Raulen, Rausan, Reserp, (-)-Reserpine, Key-serpine, Renese-R, V-Serp, 3P Reserp, Crystoserpine, Carpacil, Gilucard, Hydropine, Hydroserp, Klimanosid, Mallopress, Naquival, Resaltex, Resedril, Reserpidefe, Reserpin, Rauwita, Recipin, Serpine, Neo-antitensol, Rauserpin-Alk, Rese-lar, Reser-ar, Hydromox-R, Diurese-R, Metatensin #2, Metatensin #4, Deserpine, Hydropres 25, Hydropres 50, Hydrosine 25, Hydroserpalan, Sedaraupina, Temposerpine, Diupres 250, Diupres 500, Eberpine, Raudixin, Reserpur, Residine, Resocalm, Resperine, Rezerpin, Sandron, Sedaraupin, Sedserp, Serfolia, Serolfia, Serpaloid, Serpasol, Serpazol, Serpena, Serpentil, Serpentina, Serpicon, Serpiloid, Serpogen, Serpoid, Serpone, Sertabs, Sertens, Sertina, Triserpin, Unilord, Serfin, Serpen, Roxel, Ryser, Regroton, Vio-Serpine, SK-Reserpine, Hydroserpine Plus, Hydroserpine #1, Renese R, Diutensen-R, T-Serp, Chloroserp-250, Chloroserp-500, Chloroserpin-250, Chloroserpine-500, Dralserp, 3,4,5-Trimethoxybenzoyl methyl reserpate, Hydro-Reserpine-25, Hydro-Reserpine-50, Hydro-Fluserpine #1, Hydromox R, ENT 50146, Caswell No. 722A, R-e-s, Raunova, Residin, Serpivate, Salutensin-Demi, Tempo-Reserpina, Rcra waste number U200, Reserpina [INN-Spanish], NCI-C50157, Diupres-250, Diupres-500, H 520, UNII-8B1QWR724A, Salutensin, CCRIS 550, HSDB 213, Serpasil-Esidrix #1, Serpasil-Esidrix #2, Serpasil-apresoline, EINECS 200-047-9, MFCD00005091, CHEMBL772, RCRA waste no. U200, EPA Pesticide Chemical Code 123101, NSC 237659, BRN 0102014, HYDRO-RESERP, Brinderdin, Broserpine, Cardioserpin, Hypertensan, Neoslowten, Orthoserpina, Perskleran, Pressimedin, Reserpinum, Sederaupin, Serpaneurona, Tefaserpina, Tenserpinie, Tensionorme, Tepserpine, Transerpin, Adelfan, Adelphin, Alkaserp, Ascoserp, Banisil, Briserine, Darebon, Eberspine, Ebserpine, Elfanex, Hexaplin, Idoserp, Modenol, Rauserpin, Rauwiloid, Reserpka, Reserutin, Resiatric, Resperin, Rivased, Rolserp, Roxynoid, Salupres, Seominal, Serpazil, Serpedin, Serpentin, Serpilum, Serpipur, Serpyrit, Sertensin, Supergan, Tensanyl, Tensional, Terbolan, Tylandril, Veriloid, Abesta, Abicol, Serpil, AI3-50146, 8B1QWR724A, Hypercal B, .gamma.-Serpine, CHEBI:28487, NSC59272, Methyl reserpate 3,4,5-trimethoxybenzoic acid ester, component of Naquival, component of Regroton, Diupres, Usaf cb-27, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, component of Renese R, component of Metatensin, NCGC00091250-04, Reserpic acid methyl ester 3,4,5-trimethoxybenzoate (ester), l-Carpserp, component of Butiserpazide, DSSTox_CID_1237, l"-Carpserp, 11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester, DSSTox_RID_76029, DSSTox_GSID_21237, (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester, methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate, Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate 3,4,5-trimethoxybenzoate (ester), Hypertane forte, Serpasil premix, Solfo serpine, l -Carpserp, gammaserpine, nembuserpin, Butiserpazide-25, Marnitension simple, rese rpamed, esc aspere, HYDRO-SERP "25", HYDRO-SERP "50", loweser p, neose rfin, rau sedyl, Serp-AFD, neo-serp, se rpate, 3,5-Trimethoxybenzoyl methyl reserpate, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-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[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate, 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 (3beta,16beta,17alpha,18beta,20alpha)-11,17-bis(methyloxy)-18-({[3,4,5-tris(methyloxy)phenyl]carbonyl}oxy)yohimban-16-carboxylate, SMR000059122, Apoplon (TN), Serpine (pharmaceutical), VIXO, Methyl reserpate 3,5-trimethyloxybenzoic acid, H.R.-50, HYDROCHLOROTHIAZIDE W/ RESERPINE, RESERPINE AND HYDROCHLOROTHIAZIDE, Methyl reserpate 3,5-trimethoxybenzoic acid ester, VI XO, RESERPINE AND HYDROCHLOROTHIAZIDE-50, Novoreserpine, Reserpine/, WLN: T F6 D5 C666 EM ON&&TTTJ HO1 SOVR CO1 DO1 EO1& TO1 UVO1, Reserpine [USP:INN:BAN:JAN], CAS-50-55-5, Reserpine [USAN:INN:BAN:JAN], Reserpine,(S), 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 (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, 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, Reserpine, 99%, Methylreserpate 3,4,5-trimethoxybenzoic acid, Spectrum_000109, Methyl reserpate 3,4,5-trimethoxybenzoate (ester), 79 more names available, Methylreserpate 3,4,5-Trimethoxybenzoic acid ester, Prestwick0_000875, Prestwick1_000875, Prestwick2_000875, Prestwick3_000875, Spectrum3_000894, Spectrum4_000989, Spectrum5_001415, R 0875, AC1L1L3K, SCHEMBL2589, Lopac0_000073, BSPBio_000949, KBioGR_001397, KBioSS_000549, 4-25-00-01319 (Beilstein Handbook Reference), methyl dimethoxy-(3,4,5-trimethoxybenzoyl)oxy-[?]carboxylate, MLS002154046, MLS006011754, DivK1c_000012, SPECTRUM1500526, SPBio_002870, Reserpine (JP17/USP/INN), BPBio1_001045, GTPL4823, MEGxp0_001904, DTXSID7021237, yohimban-16-carboxylic acid derivative of benz[g]indolo[2,3-a]quinolizine, ACon1_000086, HMS500A14, KBio1_000012, KBio2_000549, KBio2_003117, KBio2_005685, KBio3_001808, AOB5791, Trimethoxybenzoyl methyl reserpate, NINDS_000012, QEVHRUUCFGRFIF-MDEJGZGSSA-N, HMS1570P11, HMS1920P04, HMS2092G05, HMS2097P11, HMS2234E24, HMS3260O07, HMS3677D20, HMS3714P11, Pharmakon1600-01500526, HY-N0480, Reserpine, Vetec(TM) reagent grade, RKL10049, ZINC3938746, Tox21_111107, Tox21_202395, Tox21_300537, Tox21_500073, ABP000583, BBL028800, BDBM50017712, NSC-59272, NSC237659, NSC757309, STK801975, AKOS000277559, Tox21_111107_1, CCG-204168, CS-1913, DB00206, KS-5106, LP00073, LS-1306, MCULE-9131256292, MCULE-9946449258, NSC-237659, NSC-757309, IDI1_000012, NCGC00091250-01, NCGC00091250-02, NCGC00091250-03, NCGC00091250-05, NCGC00091250-06, NCGC00091250-07, NCGC00091250-08, NCGC00091250-09, NCGC00091250-10, NCGC00091250-12, NCGC00091250-14, NCGC00254489-01, NCGC00259944-01, NCGC00260758-01, AC-13142, AN-41564, NCI60_004446, SC-18569, SBI-0050061.P004, AB2000152, EU-0100073, methyl o-(3,4,5-trimethoxybenzoyl)reserpate, Reserpine, crystallized, >=99.0% (HPLC), SW196458-3, UNM000011053801, methyl o-(3,4,5-trimethoxybenzo yl)reserpate, C06539, D00197, J10192, 91098-EP2275420A1, 91098-EP2305219A1, AB01562943_01, 005R091, 146088-EP2287158A1, 146088-EP2292597A1, Q-100566, BRD-K95921201-001-07-0, Methyl reserpate; 3,4,5-Trimethoxybenzoic acid ester, Reserpine, certified reference material, TraceCERT(R), Reserpine solution, 1 pg/muL in methanol: water (1:1), 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, (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, (3?,16?,17?,18?,20?)-11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16- carboxylic acid methyl ester, 3-beta,20-alpha-yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester,3,4,5-trimethoxybenzoate (ester), 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester), 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester) (8CI), 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-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 11,17alpha-dimethoxy-18beta-(3,4,5-trimethoxybenzoyloxy)-3beta,20alpha-yohimbane-16beta-carboxylate, Yohimban-16-carboxylic acid,11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester,(3b,16b,17a,18b,20a)-, Unipres, Anquil, Demi-Regroton, Metatensin, Hydropres, Hydrap-ES, null, Adelphane, Bendigon, Sarpagan, Unitensen, :reserpine, Cam-Ap-Es, Ser-A-Gen, reserpin-, Mixture Name, V Serp, Ser-Ap-Es, 'l'-Carpserp, component of Diupres, component of Hydropres, Hydroserpine Plus (R-H-H), D0J4JM, C33H40N2O9, CHLOROTHIAZIDE-RESERPINE, Reserpine 99% extra pure 1gm, Trichlormethiazide W/ Reserpine, CID5770, Reserpine [USAN:BAN:INN:JAN], CHLOROTHIAZIDE W/ RESERPINE, CHLOROTHIAZIDE AND RESERPINE, C33-H40-N2-O9, HYDROFLUMETHIAZIDE AND RESERPINE, RESERPINE AND HYDROFLUMETHIAZIDE, ACN-035490, CS-O-02263, OPC-14597; 2,3-DCPP, S1601, D012110, HYDRALAZINE HCL-HYDROCHLOROTHIAZIDE-RESERPINE, HYDRALAZINE, HYDROCHLOROTHIAZIDE W/ RESERPINE, HYDRALAZINE HCL, HYDROCHLOROTHIAZIDE AND RESERPINE, HYDROCHLOROTHIAZIDE W/ RESERPINE AND HYDRALAZINE, RESERPINE, HYDRALAZINE HCL AND HYDROCHLOROTHIAZIDE, RESERPINE, HYDROCHLOROTHIAZIDE, AND HYDRALAZINE HCL, 11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-,

Complexity	1000
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	608.273g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	608.688g/mol
Monoisotopic Mass	608.273g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H350-H360
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number