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125-73-5

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Basic Information
CAS No.: 125-73-5
Name: DEXTRORPHAN D-TARTRATE
Article Data: 58
Molecular Structure:
Molecular Structure of 125-73-5 (DEXTRORPHAN D-TARTRATE)
Formula: C17H23 N O
Molecular Weight: 257.376
Synonyms: 9a,13a,14a-Morphinan-3-ol, 17-methyl- (8CI);(+)-3-Hydroxy-N-methylmorphinan;(+)-Dromoran;(+)-N-Methylmorphinan-3-ol;Dextrorphan;O-Demethyldextromethorphan;Ro 1-6794;d-Levorphanol;dextro-Dromoran;
EINECS: 204-754-3
Density: 1.17g/cm3
Melting Point: ≥195 °C
Boiling Point: 410.4°Cat760mmHg
Flash Point: 207.2°C
Hazard Symbols:
Risk Codes: 22
Safety: Poison by subcutaneous and intravenous routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
PSA: 138.53000
LogP: 0.89570
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Specification

Dextrorphan(DXO) is a psychoactive drug of the morphinan chemical class which acts as an antitussive or cough suppressant and dissociative hallucinogen. With the CAS No.125-73-5, is also named as (+)-3-Hydroxy-N-methylmorphinan; (+)-cis-1,3,4,9,10,10a-hexahydro-11-methyl-2h-10,4a-iminoethanophenanthren-6; (+)-cis-1,3,4,9,10,10a-Hexahydro-11-methyl-2H-10,4a-iminoethanophenanthren-6-ol; (+)-N-Methylmorphinan-3-ol. Dextrorphan is produced by O-demethylation of dextromethorphan by CYP2D6. Dextrorphan is an NMDA antagonist and contributes to the psychoactive effects of dextromethorphan.

Physical properties about Dextrorphan are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 0.52; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 7.09; (6)ACD/KOC (pH 5.5): 2.09; (7)ACD/KOC (pH 7.4): 51.30; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 76.928 cm3; (13)Molar Volume: 218.818 cm3; (14)Polarizability: 30.497 10-24cm3; (15)Surface Tension: 52.0989990234375 dyne/cm; (16)Density: 1.176 g/cm3; (17)Flash Point: 207.175 °C; (18)Enthalpy of Vaporization: 68.842 kJ/mol; (19)Boiling Point: 410.355 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1;
(2)InChIKey=JAQUASYNZVUNQP-PVAVHDDUSA-N;
(3)Smilesc12[C@]34[C@@H]([C@H](Cc1ccc(c2)O)[N@@](C)CC3)CCCC4

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 65mg/kg (65mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 oral 276mg/kg (276mg/kg)   Journal of Organic Chemistry. Vol. 22, Pg. 1370, 1957.
mouse LD50 subcutaneous 131mg/kg (131mg/kg)   Journal of Organic Chemistry. Vol. 22, Pg. 1370, 1957.
rabbit LD50 intravenous 28mg/kg (28mg/kg)   Compilation of LD50 Values of New Drugs.
rat LD50 intravenous 21mg/kg (21mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

MUSCULOSKELETAL: OTHER CHANGES
Arzneimittel-Forschung. Drug Research. Vol. 45, Pg. 1188, 1995.
rat LD50 oral 584mg/kg (584mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ATAXIA
Arzneimittel-Forschung. Drug Research. Vol. 45, Pg. 1188, 1995.
rat LD50 subcutaneous 800mg/kg (800mg/kg)   Compilation of LD50 Values of New Drugs.