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Name	Metoserpate hydrochloride	EINECS	N/A
CAS No.	1178-29-6	Density	N/A
PSA	73.02000	LogP	3.67460
Solubility	N/A	Melting Point	N/A
Formula	C24H32 N2 O5 . Cl H	Boiling Point	566.5°C at 760 mmHg
Molecular Weight	465.04	Flash Point	296.4°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NO_x and HCl.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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

Metoserpate hydrochloride Chemical Properties

Molecule structure of Metoserpate hydrochloride (CAS NO.1178-29-6) :

Molecular Weight: 464.98222 g/mol
Molecular Formula: C₂₄H₃₃ClN₂O₅
Density: 1.26 g/cm³
Boiling Point: 566.5 °C at 760 mmHg
Flash Point: 296.4 °C
Index of Refraction: 1.607
Molar Refractivity: 117.01 cm³
Molar Volume: 338.4 cm³
Polarizability: 46.38*10^-24 cm³
Surface Tension: 54.4 dyne/cm
Enthalpy of Vaporization: 85.07 kJ/mol
Vapour Pressure: 7.46E-13 mmHg at 25 °C
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
Complexity: 662
Defined Atom StereoCenter Count: 6
Canonical SMILES: COC1CC2CN3CCC4=C(C3CC2C(C1OC)C(=O)OC)NC5=C4C=CC(=C5)OC.Cl
Isomeric 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
InChI: InChI=1S/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
InChIKey of Metoserpate hydrochloride (CAS NO.1178-29-6) : RVUCXCLULXWKIQ-PKNINNMNSA-N

Metoserpate hydrochloride Toxicity Data With Reference

1.	orl-rat LD50:182 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 138 (1962),78.
2.	ivn-rat LD50:21 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,112.
3.	ivn-mus LD50:24 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 138 (1962),78.
4.	orl-bwd LD50:100 mg/kg	AECTCV Archives of Environmental Contamination and Toxicology. 12 (1983),355.

Metoserpate hydrochloride Safety Profile

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

Metoserpate hydrochloride 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)- .

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