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357-08-4

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Basic Information
CAS No.: 357-08-4
Name: Naloxone hydrochloride
Article Data: 5
Molecular Structure:
Molecular Structure of 357-08-4 (Naloxone hydrochloride)
Formula: C19H22ClNO4
Molecular Weight: 363.841
Synonyms: Morphinan-6-one,17-allyl-4,5a-epoxy-3,14-dihydroxy-,hydrochloride (8CI);Morphinan-6-one,4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, hydrochloride, (5a)- (9CI);Normorphinone,N-allyl-7,8-dihydro-14-hydroxy-, hydrochloride (7CI);(-)-N-Allyl-14-hydroxynordihydromorphinone hydrochloride;(-)-Naloxonehydrochloride;EN 1530;EN 15304;N-Allyldihydro-14-hydroxynormorphinonehydrochloride;NIH 7890;Nalone;Nalonee;Narcan;Narcanti;l-Naloxone hydrochloride;
EINECS: 206-611-0
Melting Point: 200-205 °C
Boiling Point: 532.8 °C at 760 mmHg
Flash Point: 276.1 °C
Solubility: ethanol: 3.3 mg/mL
Appearance: white to off-white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-26-36/37/39
PSA: 70.00000
LogP: 2.04130
Raw Materials
124-90-3
Downstream Products
465-65-6
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Specification

The Naloxone hydrochloride, with the CAS registry number 357-08-4, is also known as Naloxone HCl. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Opioid Receptor and Opioid-Like Receptor; Opioids. Its EINECS registry number is 206-611-0. This chemical's molecular formula is C19H22ClNO4 and molecular weight is 363.83528. Its systematic name is called (5α)-3,14-dihydroxy-17-prop-2-en-1-yl-4,5-epoxymorphinan-6-one hydrochloride. This chemical's classification codes are Antagonist [to narcotics]; Drug / Therapeutic Agent; Human Data; Reproductive Effect. This chemical can be used as antagonists of narcotics analgesics. In addition, it can relieve narcotics analgesics caused by respiratory inhibition and addiction.

Physical properties of Naloxone hydrochloride: (1)ACD/LogP: 1.45; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Flash Point: 276.1 °C; (6)Enthalpy of Vaporization: 85.12 kJ/mol; (7)Boiling Point: 532.8 °C at 760 mmHg; (8)Vapour Pressure: 3.49E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl
(2)Isomeric SMILES: C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O.Cl
(3)InChI: InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m1./s1
(4)InChIKey: RGPDIGOSVORSAK-STHHAXOLSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo intravenous 13ug/kg (0.013mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD American Journal of Emergency Medicine. Vol. 7, Pg. 127, 1989.
mouse LD50 intravenous 90mg/kg (90mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Yakkyoku. Pharmacy. Vol. 36, Pg. 655, 1985.
mouse LD50 oral > 1gm/kg (1000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Yakkyoku. Pharmacy. Vol. 36, Pg. 655, 1985.
mouse LD50 subcutaneous 286mg/kg (286mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 844, 1977.
mouse LDLo intraperitoneal 80mg/kg (80mg/kg)   Research Communications in Chemical Pathology and Pharmacology. Vol. 17, Pg. 255, 1977.
rat LD50 intraperitoneal 239mg/kg (239mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 357, 1985.
rat LD50 intravenous 107mg/kg (107mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Yakkyoku. Pharmacy. Vol. 36, Pg. 655, 1985.
rat LD50 oral > 1gm/kg (1000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Yakkyoku. Pharmacy. Vol. 36, Pg. 655, 1985.
rat LD50 subcutaneous 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Yakkyoku. Pharmacy. Vol. 36, Pg. 655, 1985.
women TDLo intravenous 32ug/kg/3M-C (0.032mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

SKIN AND APPENDAGES (SKIN): SWEATING: OTHER
Annals of Emergency Medicine. Vol. 16, Pg. 1294, 1987.