Name: 4H-Dibenzo[de,g]quinoline-10,11-diol,5,6,6a,7-tetrahydro-6-methyl-, hydrochloride (1:1), (6aR)-
SKU: 314-19-2

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Basic Information

Molecular Structure:
CAS No.:	314-19-2
Name:	4H-Dibenzo[de,g]quinoline-10,11-diol,5,6,6a,7-tetrahydro-6-methyl-, hydrochloride (1:1), (6aR)-
Article Data:	4

Formula:	C17H17 N O2 . Cl H
Molecular Weight:	303.788
Synonyms:	4H-Dibenzo[de,g]quinoline-10,11-diol,5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, (6aR)- (9CI);4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-,hydrochloride, (R)-;6ab-Aporphine-10,11-diol, hydrochloride (8CI);(-)-Apomorphine hydrochloride;Apomorphine hydrochloride;Apomorphinium chloride;NSC 11442;R-(-)-Apomorphinehydrochloride;Uprima;
EINECS:	206-243-0
Density:	g/cm³
Melting Point:	>250℃
Boiling Point:	473.4°Cat760mmHg
Flash Point:	268.8°C
Safety:	Poison by intravenous and intraperitoneal routes. Mutation data reported. See also APORMORPHINE. When heated to decomposition it emits very toxic fumes of NO_x and HCl.
PSA:	43.70000
LogP:	3.58980

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Chemistry

Molecular Weight: 303.78332 g/mol
Molecular Formula: C₁₇H₁₈ClNO₂
Flash Point: 253.6 °C
Boiling Point: 495.8 °C at 760 mmHg
Vapour Pressure: 1.87E-10 mmHg at 25 °C
Enthalpy of Vaporization: 79.24 kJ/mol
EINECS: 206-243-0
log P (octanol-water): 0.240
Water Solubility: 2.00E+04 mg/L at 25 °C
Henry's Law Constant: 3.66E-23 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 9.54E-11 cm3/molecule-sec at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 3
Tautomer Count: 18
Exact Mass: 303.102607
MonoIsotopic Mass: 303.102607
Topological Polar Surface Area: 43.7
Heavy Atom Count: 21
Complexity: 374
Defined Atom StereoCenter Count: 1
Canonical SMILES: CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O.Cl
Isomeric SMILES: CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O.Cl
InChI: InChI=1S/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1
InChIKey: SKYZYDSNJIOXRL-BTQNPOSSSA-N

Toxicity Data With Reference

1.	mmo-sat 20 µg/plate	MUREAV Mutation Research. 137 (1984),17.
2.	ipr-mus LD50:145 µg/kg	JMCMAR Journal of Medicinal Chemistry. 18 (1975),1194.
3.	ivn-mus LD50:38 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 6 (1964),334.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous and intraperitoneal routes. Mutation data reported. See also APORMORPHINE. When heated to decomposition it emits very toxic fumes of NO_x and HCl.
RIDADR: 3249
HazardClass: 6.1(b)
PackingGroup: III

Specification

Apormorphine chloride (CAS NO.314-19-2) is also called (-)-Apomorphiniumhydrochloride ; (r)-id ; (theta)-id ; 11-diol,6-methyl-6a-beta-Noraporphine-1hydrochloride ; 6a-beta-Aporphine-10,11-diol,hydrochloride ; Apomorphinechloride . Apormorphine chloride (CAS NO.314-19-2) is high toxic. It is flammable. It will produce toxic fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Apormorphine chloride (CAS NO.314-19-2) separate from raw materials of food.