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Name	trans-Tramadol hydrochloride	EINECS	N/A
CAS No.	73806-49-2	Density	N/A
PSA	32.70000	LogP	3.43660
Solubility	N/A	Melting Point	N/A
Formula	C₁₆H₂₆ClNO₂	Boiling Point	388.1 °C at 760 mmHg
Molecular Weight	299.841	Flash Point	188.5 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Cyclohexanol,2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, (1R,2S)-rel-(9CI);Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-,hydrochloride, trans-;trans-Tramadol hydrochloride;Tramadol HCL;

trans-Tramadol hydrochloride Specification

The trans-Tramadol hydrochloride, with the CAS registry number 73806-49-2, is also known as K-315. This chemical's molecular formula is C₁₆H₂₆ClNO₂ and molecular weight is 299.83614. Its IUPAC name is called (1R,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol hydrochloride. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of trans-Tramadol hydrochloride: (1)ACD/LogP: 2.51 ; (2)ACD/LogD (pH 5.5): -0.53; (3)ACD/LogD (pH 7.4): 0.49; (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): 5.24; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Flash Point: 188.5 °C; (12)Enthalpy of Vaporization: 67.22 kJ/mol; (13)Boiling Point: 388.1 °C at 760 mmHg; (14)Vapour Pressure: 1.02E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O.Cl
(2)Isomeric SMILES: CN(C)C[C@@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O.Cl
(3)InChI: InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16-;/m0./s1
(4)InChIKey: PPKXEPBICJTCRU-DMLYUBSXSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	50mg/kg (50mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
dog	LD50	oral	450mg/kg (450mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
dog	LDLo	intramuscular	100mg/kg (100mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
guinea pig	LD50	oral	850mg/kg (850mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
guinea pig	LD50	subcutaneous	245mg/kg (245mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
mouse	LD50	intramuscular	258mg/kg (258mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 1427, 1972.
mouse	LD50	intravenous	60450ug/kg (60.45mg/kg)		Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.
mouse	LD50	oral	270mg/kg (270mg/kg)	BEHAVIORAL: ANALGESIA	Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.
mouse	LD50	subcutaneous	200mg/kg (200mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
rabbit	LD50	oral	500mg/kg (500mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
rabbit	LDLo	intramuscular	300mg/kg (300mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
rabbit	LDLo	intravenous	50mg/kg (50mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
rat	LD50	intramuscular	244mg/kg (244mg/kg)		Drugs in Japan Vol. 6, Pg. 513, 1982.
rat	LD50	intravenous	57600ug/kg (57.6mg/kg)		Drugs in Japan Vol. 6, Pg. 513, 1982.
rat	LD50	oral	228mg/kg (228mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.
rat	LD50	subcutaneous	286mg/kg (286mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 164, 1978.