CAS No.16676-29-2,Naltrexone hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16676-29-2
Name:	Naltrexone hydrochloride
Article Data:	5

Formula:	C₂₀H₂₃NO₄^.HCl
Molecular Weight:	377.868
Synonyms:	Morphinan-6-one,17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, hydrochloride, (5a)- (9CI);Antaxone;Depade;EN 1639A;NIH 8503;Nalorex;Trexan;
EINECS:	240-723-0
Density:	1.47 g/cm3
Melting Point:	274-276 °C
Boiling Point:	558.1 °C at 760 mmHg
Flash Point:	291.4 °C
Solubility:	water: 50 mg/mL, clear, colorless
Appearance:	white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	22-36
PSA:	70.00000
LogP:	2.26530

Raw Materials

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Specification

The Naltrexone hydrochloride is an organic compound with the formula C₂₀H₂₃NO₄^.HCl. The systematic name of this chemical is (5α)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one hydrochloride. With the CAS registry number 16676-29-2, it is also named as morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5α)-, hydrochloride. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; Antagonists; Opioids; Pharmacologicals; Enzyme Inhibitors; Enzyme Inhibitors by Type; Other; Opioid receptor and Opioid-like receptor. Besides, it is fine chemical, and can be used as nonselective opioid receptor antagonist, intermediate and congener of naloxone. The main use of naltrexone is for the treatment of alcohol dependence.

Physical properties about Naltrexone hydrochloride are: (1)ACD/LogP: 1.80; (2)ACD/LogD (pH 5.5): -0.3; (3)ACD/LogD (pH 7.4): 1.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.9; (6)ACD/KOC (pH 5.5): 1.82; (7)ACD/KOC (pH 7.4): 81.08; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 48 Å²; (12)Flash Point: 291.4 °C; (13)Enthalpy of Vaporization: 88.4 kJ/mol; (14)Boiling Point: 558.1 °C at 760 mmHg; (15)Vapour Pressure: 2.71E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C4[C@@H]5Oc1c2c(ccc1O)C[C@H]3N(CC[C@]25[C@@]3(O)CC4)CC6CC6
(2)InChI: InChI=1/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H/t15-,18+,19+,20-;/m1./s1
(3)InChIKey: RHBRMCOKKKZVRY-ITLPAZOVBS
(4)Std. InChI: InChI=1S/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H/t15-,18+,19+,20-;/m1./s1
(5)Std. InChIKey: RHBRMCOKKKZVRY-ITLPAZOVSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LD50	oral	1490mg/kg (1490mg/kg)	Medicamentos de Actualidad. Vol. 21, Pg. 264, 1985.
monkey	LD50	oral	3gm/kg (3000mg/kg)	Medicamentos de Actualidad. Vol. 21, Pg. 264, 1985.
mouse	LD50	oral	1100mg/kg (1100mg/kg)	Medicamentos de Actualidad. Vol. 21, Pg. 264, 1985.
rat	LD50	oral	1450mg/kg (1450mg/kg)	Medicamentos de Actualidad. Vol. 21, Pg. 264, 1985.