Morphinan-6-one,4,5-epoxy-3-hydroxy-5,17-dimethyl-,(5a)- supplier

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Name
Metopon
EINECS
CAS No. 143-52-2
Article Data2
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point 243-245° (evac tube)
Formula C₁₈H₂₁NO₃
Boiling Point 468.7 °C at 760 mmHg
Molecular Weight 299.37
Flash Point 237.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Metopon;5-Methyldihydromorphinone;Methyldihydromorphinone;Morphinan-6-one,4,5a-epoxy-3-hydroxy-5,17-dimethyl-(8CI);
PSA 49.77000
LogP 1.95830

Morphinan-6-one,4,5-epoxy-3-hydroxy-5,17-dimethyl-,(5a)- Specification

The CAS registry number of Morphinan-6-one,4,5-epoxy-3-hydroxy-5,17-dimethyl-,(5a)- is 143-52-2. The systematic name is (5α)-3-hydroxy-5,17-dimethyl-4,5-epoxymorphinan-6-one. In addition, the molecular formula is C₁₈H₂₁NO₃ and the molecular weight is 299.36. What's more, it belongs to class of Drug/Therapeutic Agent. It should be stored in a cool and dry place.

Physical properties about Morphinan-6-one,4,5-epoxy-3-hydroxy-5,17-dimethyl-,(5a)- are: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): -1.16; (3)ACD/LogD (pH 7.4): 0.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13.94; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 38.77 Å²; (12)Index of Refraction: 1.664; (13)Molar Refractivity: 81.37 cm³; (14)Molar Volume: 219.2 cm³; (15)Polarizability: 32.25 ×10^-24cm³; (16)Surface Tension: 63.2 dyne/cm; (17)Density: 1.36 g/cm³; (18)Flash Point: 237.2 °C; (19)Enthalpy of Vaporization: 75.88 kJ/mol; (20)Boiling Point: 468.7 °C at 760 mmHg; (21)Vapour Pressure: 2.09E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4[C@@]5(Oc1c2c(ccc1O)C[C@H]3N(CC[C@]25[C@H]3CC4)C)C
(2)InChI: InChI=1/C18H21NO3/c1-17-14(21)6-4-11-12-9-10-3-5-13(20)16(22-17)15(10)18(11,17)7-8-19(12)2/h3,5,11-12,20H,4,6-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
(3)InChIKey: NPZXCTIHHUUEEJ-CMKMFDCUBE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	25mg/kg (25mg/kg)		"Public Health Reports, Supplement." Vol. 138, Pg. 20, 1938.

Product Name

Metopon

Morphinan-6-one,4,5-epoxy-3-hydroxy-5,17-dimethyl-,(5a)- Specification

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