AG00BD2Z

Name: methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-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
Brand: Angene Chemical
SKU: AG00BD2Z

24815-24-5 | methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-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

$Chemical structure of methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate, CAS 24815-24-5$

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CAS Number	24815-24-5
Catalog Number	AG00BD2Z(AGN-PC-0R0KIT)
Chemical Name	methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-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
EC Number	246-471-8
IUPAC Name	methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
InChI	InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
InChI Key	SZLZWPPUNLXJEA-QEGASFHISA-N
MDL Number	MFCD00005092
Molecular Formula	C35H42N2O9
Molecular Weight	634.7160
NSC Number	15628
SMILES	CO[C@@H]1[C@@H](C(OC)=O)[C@@H]2[C@@H](CN3[C@H](C2)C2NC4=C(C=2CC3)C=CC(OC)=C4)C[C@H]1OC(C=CC1=CC(OC)=C(OC)C(OC)=C1)=O
UN Number	1544
UNII	Q6W1F7DJ2D
Synonyms	Moderil, rescinnamine, rescinnamine, Moderil, Cinnaloid, Rescisan, Resealoid, Scinnamina, Apoterin, Anaprel, Cartric, Rescinnamin, 24815-24-5, Cinnasil, Paresinan, Raurescin, Apolon, Reserpinine, Reserpinine (C35 alkaloid), Reserpinine (VAN), Rescinnamine (VAN), Rescinnamina [DCIT], Rozex, Rescinamina [INN-Spanish], Rescinnaminum [INN-Latin], Resepinine (C35 alkaloid), Normorescina, Cinamine, Cinatabs, Raupyrol, Raurescine, Recinnamine, Recitensina, Rescaloid, Rescamin, Rescidan, Rescinpal, Rescitens, Reserpinene, Reserpinin, Reskinnamin, Tenamine, Rescin, Resipal, Tuareg, Methyl trimethoxycinnamoylreserpate, 3,4,5-Trimethoxycinnamoyl methyl reserpate, UNII-Q6W1F7DJ2D, Trimethoxy cinnamoyl reserpate de methyl, CCRIS 4711, 3,4,5-Trimethylcinnamoyl methyl reserpate, HSDB 2176, 3,4,5-Trimethylcinnamic acid, ester with methyl reserpate, NSC15628, EINECS 246-471-8, NSC 15628, 3,4,5-Trimethoxycinnamic acid, methyl reserpate, Trimethoxy cinnamoyl reserpate de methyl [French], Methyl 18-O-(3,4,5-trimethoxycinnamoyl)reserpate, BRN 0075328, Q6W1F7DJ2D, Methyl reserpate 3,4,5-trimethoxycinnamic acid ester, AI3-52763, Tsuruselpi S, CHEBI:28572, Trimethoxycinnamoyl methyl reserpate, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, Rescinamina, Rescinnamina, Rescinnaminum, 11,17alpha-Dimethoxy-18beta-((1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)oxy)-3beta,20alpha-yohimban-16beta-carboxylic acid methyl ester, 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester), (E)-, Methyl 1alpha,2beta,3alpha,4,4aalpha,5,7,8,13,13bbeta,14,14aalpha-dodecahydro-2alpha,11-dimethoxy-3beta-(3,4,5-trimethoxycinnamoyloxy)benz(g)indolo(2,3-a)quinolizine-1beta-carboxylate, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-oxy)-, methyl ester, (3beta,16beta,17alpha,18beta(E),20alpha)-, Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester), 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester), methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, Rescinnamine [BAN:INN:JAN], Tsuruselpi S (TN), Rescinnamine (JAN/INN), Reserpic acid methyl ester 3,4,5-trimethoxycinnamate, Rescinnamine [INN:BAN:JAN:NF], methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-({(2E)-3-[3,4,5-tris(methyloxy)phenyl]prop-2-enoyl}oxy)yohimban-16-carboxylate, Prestwick_558, Prestwick2_000568, Prestwick3_000568, CHEMBL1668, BSPBio_000356, 4-25-00-01323 (Beilstein Handbook Reference), MLS002153878, SCHEMBL181966, BPBio1_000392, GTPL7098, MEGxp0_001952, O-(3,4,5-Trimethoxy-trans-cinnamoyl) methyl reserpate, ACon1_002115, CHEBI:92923, C35H42N2O9, HMS1569B18, HMS2096B18, HMS2234E08, ZINC4097185, NSC-15628, LS-1060, 3,5-Trimethoxycinnamoyl methyl reserpate, NCGC00179585-04, SMR001233232, 3,5-Trimethoxycinnamic acid, methyl reserpate, C06540, D00198, NCGC00179585-04_C35H42N2O9_Cinnaloid, BRD-K52930707-001-02-2, BRD-K52930707-001-04-8, 11,17-Dimethoxy-18-[[1-oxo-3-3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-3,20-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-trimethoxycinnamate (ester), 3.beta., 18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (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-trimethoxycinnamate, methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-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-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3beta,20alpha-yohimban-16beta-carboxylate, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(((2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-, methyl ester, (3b,16b,17a,18b,20a)-, Yohimban-16-carboxylic acid,17-dimethoxy-18-[[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-, Yohimban-16-carboxylicacid,11,17-dimethoxy-18-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]-,methyl ester, (3b,16b,17a,18b,20a)-, Anapral, Apoterin S, Cinnasil (TN), Anaprel (TN), Moderil (TN), D0G8NJ, Rescinnamine [INN:BAN:JAN], C35-H42-N2-O9, CID5280954, NP-011016, C084826, 3,4,5-trimethoxycinnamic acid ester of methyl reserpate, 3.beta.,20.alpha.-Yohimban-16.beta.-carboxylic acid, 18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester), Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-,

Complexity	1080
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	1
Exact Mass	634.289g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	634.726g/mol
Monoisotopic Mass	634.289g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited