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Yohimban-16-carboxylicacid, 11,17,18-trimethoxy-, methyl ester, monohydrochloride, (3b,16b,17a,18a,20a)- (9CI)(CAS No. 1178-29-6)

Yohimban-16-carboxylicacid, 11,17,18-trimethoxy-, methyl ester, monohydrochloride, (3b,16b,17a,18a,20a)- (9CI) C24H32N2O5.ClH (cas 1178-29-6) Molecular Structure

1178-29-6 Structure

Identification and Related Records

【Name】
Yohimban-16-carboxylicacid, 11,17,18-trimethoxy-, methyl ester, monohydrochloride, (3b,16b,17a,18a,20a)- (9CI)
【CAS Registry number】
1178-29-6
【Synonyms】
18-Epireserpicacid, O-methyl-, methyl ester, hydrochloride (6CI,7CI)
3b,20a-Yohimban-16b-carboxylic acid, 11,17a,18a-trimethoxy-, methyl ester, monohydrochloride (8CI)
Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
18-epi-O-Methylreserpic acid methyl ester hydrochloride
Mepiserpatehydrochloride
Methyl O-methyl-18-epi-reserpate hydrochloride
MethylO-methyl-18-epireserpate hydrochloride
Metoserpate hydrochloride
NSC 169862
Pacitran
Su 9064 hydrochloride
【Molecular Formula】
C24H32 N2 O5 . Cl H (Products with the same molecular formula)
【Molecular Weight】
465.04
【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

Chemical and Physical Properties

【Boiling Point】
566.5°C at 760 mmHg
【Vapour】
7.46E-13mmHg at 25°C
【Flash Point】
296.4°C
【Computed Properties】
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

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)- .

Supplier Location

Top Suppliers

Kemfine Chemicals
Country:TurkeyTurkey
Business Type:Manufacturer
Telephone:90-536-0122300

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