Compound Selection

Formula: C22H26N2O4

MW: 382.46

CAS: 131-02-2

TNP NUMBER: TNP00193

MDL NUMBER: MFCD12965134

IUPAC: (13bS,14aS)-11-methoxy-4-methyl-5,8,14,13b,14a,4a-hexahydro-4H-indolo[2,3-a]py rano[3,4-g]quinolizinyl acetate

Smiles: c1(cc2c(cc1)c1c([nH]2)[C@H]2(N(CC1)CC1[C@H](C2)(C(=COC1C)C(OC)=O)))OC

THERAPEUTIC CATEGORY: Antihypertensive

SOURCE: From Ruwolfia serpentina Benthy., Apocynaceae

ACCEPTORS: 4

DONORS: 1

ROTATION BONDS: 3

N+O: 6

Chiral Centers: 4

LogP: 4.29

LogS: -5.08

LIPINSKI: 4

Synonyms: Reserpiline;(3B,20a)-16,17-Didehydro-10,11-dimethoxy-19a-methyl-18-oxayohimban-16-carboxylic acid methyl ester;(3B,20a)-16,17-Didehydro-19a-methyl-10,11-dimethoxy-18-oxayohimban-16-carboxylic acid methyl ester;Einecs 205-005-3;Elliptamine;Methyl 16,17-didehydro-10,11-dimethoxy-19alpha-methyl-18-oxa-3beta,20alpha-yohimban-16-carboxylat;Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (3-beta,19-alpha,20-alpha)-;Reserpilin

CAS:131-02-2

MF:C23H28N2O5

MW:0

EINECS:205-005-3

Product Categories: methyl (3beta,19alpha,20alpha)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate RIDADR 1544 HazardClass 6.1(b) PackingGroup III methyl (3beta,19alpha,20alpha)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate

Usage And Synthesis: methyl (3beta,19alpha,20alpha)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate

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