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Home> Hot Product Listed Y   > Yohimban-16-carboxylicacid, 11,17,18-trimethoxy-, methyl ester, monohydrochloride, (3b,16b,17a,18a,2...

Yohimban-16-carboxylicacid, 11,17,18-trimethoxy-, methyl ester, monohydrochloride, (3b,16b,17a,18a,20a)- (9CI)

CAS No.:1178-29-6
Molecular Weight:465.04
Molecular Formula:C24H32 N2 O5 . Cl H (Products with the same molecular formula)
Names and Identifiers
Synonyms

Yohimban-16-carboxylicacid, 11,17,18-trimethoxy-, methyl ester, monohydrochloride, (3b,16b,17a,18a,20a)- (9CI)Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv. 3b,20a-Yohimban-16b-carboxylic acid, 11,17a,18a-trimethoxy-, methyl ester, monohydrochloride (8CI) Mepiserpatehydrochloride Methyl O-methyl-18-epi-reserpate hydrochloride Metoserpate hydrochloridePacitran Su 9064 hydrochloride NSC 16986218-epi-O-Methylreserpic acid methyl ester hydrochloride18-Epireserpicacid, O-methyl-, methyl ester, hydrochloride (6CI,7CI) MethylO-methyl-18-epireserpate hydrochloride

Inchi
InChI=1/C24H32N2O5.ClH/c1-28-14-5-6-15-16-7-8-26-12-13-9-20(29-2)23(30-3)21(24(27)31-4)17(13)11-19(26)22(16)25-18(15)10-14;/h5-6,10,13,17,19-21,23,25H,7-9,11-12H2,1-4H3;1H/t13-,17+,19-,20+,21+,23+;/m1./s1
Canonical Smiles
COC1CC2CN3CCC4=C(C3CC2C(C1OC)C(=O)OC)NC5=C4C=CC(=C5)OC.Cl
Isomers Smiles
CO[C@H]1C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC)NC5=C4C=
CC(=C5)OC.Cl
Properties
Boiling Point
566.5°C at 760 mmHg
Vapour
7.46E-13mmHg at 25°C
Flash Point
296.4°C
Safety and Handling
Safety Statements
Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
Safety

Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.

Specification

 Metoserpate hydrochloride (CAS NO.1178-29-6) is also called Avicalm ; Mepiserate hydrochloride ; Methoxerpate hydrochloride ; Methyl 11,17alpha,18alpha-trimethoxy-3beta,20alpha-yohimban-16beta-carboxylate monohydrochloride ; Metoserpate HCl ; NSC 169862 ; Pacitran ; SU 9064 ; 3-beta,15-alpha,20-alpha-Yohimban-16-beta-carboxylic acid, 11,17-alpha,18-alpha-trimethoxy-, methyl ester, hydrochloride ; 3beta,20alpha-Yohimban-16beta-carboxylic acid, 11,17alpha,18alpha-trimethoxy-, methyl ester, monohydrochloride (8CI) ; Yohimban-16-carboxylic acid, 11,17,18-trimethoxy-, methyl ester, monohydrochloride, (3beta,16beta,17alpha,18alpha,20alpha)- .

Computational chemical data

Molecular Weight:464.98222 [g/mol]
Molecular Formula:C24H33ClN2O5
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:5
Exact Mass:464.2078
MonoIsotopic Mass:464.2078
Topological Polar Surface Area:73
Heavy Atom Count:32
Formal Charge:0
Complexity:662
Isotope Atom Count:0
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2