Morphinan,3-methoxy-17-methyl- supplier

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Name
levomethorphan
EINECS 204-751-7
CAS No. 125-70-2
Article Data21
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point 81-83 °C
Formula C₁₈H₂₅NO
Boiling Point 394.9 °C at 760 mmHg
Molecular Weight 271.403
Flash Point 116.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2H-10,4a-Iminoethanophenanthrene,1,3,4,9,10,10a-hexahydro-6-methoxy-11-methyl- (6CI);(-)-3-Methoxy-N-methylmorphinan;3-Methoxy-N-methylmorphinan;Levomethorphan;Methorphan;l-Methorphan;
PSA 12.47000
LogP 3.32130

Morphinan,3-methoxy-17-methyl- Specification

The Morphinan,3-methoxy-17-methyl-, also known as Levomethorphanum, is an organic compound with the formula C₁₈H₂₅NO. Its EINECS registry number is 204-751-7. With the CAS registry number 125-70-2, its systematic name is (9α,13α)-3-methoxy-17-methylmorphinan. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of Morphinan,3-methoxy-17-methyl-: (1)ACD/LogP: 4.11; (2)ACD/LogD (pH 5.5): 1.12; (3)ACD/LogD (pH 7.4): 2.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 14.9; (6)ACD/KOC (pH 5.5): 4.22; (7)ACD/KOC (pH 7.4): 78.03; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.585; (11)Molar Refractivity: 81.76 cm³; (12)Molar Volume: 243.8 cm³; (13)Surface Tension: 44.9 dyne/cm; (14)Density: 1.11 g/cm³; (15)Flash Point: 116.2 °C; (16)Enthalpy of Vaporization: 64.5 kJ/mol; (17)Boiling Point: 394.9 °C at 760 mmHg; (18)Vapour Pressure: 1.92E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC
(2)Isomeric SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC
(3)InChI: InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1
(4)InChIKey: MKXZASYAUGDDCJ-CGTJXYLNSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	78mg/kg (78mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 17, Pg. 433, 1961.

Product Name

levomethorphan

Morphinan,3-methoxy-17-methyl- Specification

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