Doxapram hydrochloride monohydrate supplier

Name
Doxapram hydrochloride monohydrate
EINECS
CAS No. 7081-53-0
Density
Solubility
Melting Point 217-219°
Formula C₂₄H₃₃ClN₂O₃
Boiling Point 536.4 °C at 760 mmHg
Molecular Weight 432.9834
Flash Point 278.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrrolidinone,1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-, monohydrochloride, monohydrate(8CI);2-Pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-,monohydrochloride, monohydrate (9CI);1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone hydrochloridehydrate;AHR 619;Doxapram hydrochloride hydrate;1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone monohydrochloride monohydrate;2-pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-, hydrochloride, hydrate (1:1:1);
PSA 42.01000
LogP 3.78680

Doxapram hydrochloride monohydrate Specification

The Doxapram hydrochloride monohydrate, with the CAS registry number 7081-53-0, has the systematic name of 1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrochloride hydrate. It belongs to the product categories of Pharmaceutical material and intermeidates. The molecular formula of this chemical is C₂₄H₃₃ClN₂O₃.

The physical properties of Doxapram hydrochloride monohydrate are as following: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 1.39; (6)ACD/BCF (pH 7.4): 62.86; (7)ACD/KOC (pH 5.5): 11.27; (8)ACD/KOC (pH 7.4): 510.58; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.78 Å²; (13)Flash Point: 278.2 °C; (14)Enthalpy of Vaporization: 81.31 kJ/mol; (15)Boiling Point: 536.4 °C at 760 mmHg; (16)Vapour Pressure: 1.4E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C4N(CC)CC(CCN1CCOCC1)C4(c2ccccc2)c3ccccc3.O
(2)InChI: InChI=1/C24H30N2O2.ClH.H2O/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;;/h3-12,22H,2,13-19H2,1H3;1H;1H2
(3)InChIKey: ZOMBFZRWMLIDPX-UHFFFAOYAC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	40mg/kg (40mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
dog	LD50	oral	150mg/kg (150mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 225, 1972.
man	TDLo	intravenous	41mg/kg/24H-C (41mg/kg)	LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"	Postgraduate Medical Journal. Vol. 61, Pg. 833, 1985.
mouse	LD50	intraperitoneal	153mg/kg (153mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Toxicology and Applied Pharmacology. Vol. 13, Pg. 242, 1968.
mouse	LD50	intravenous	85mg/kg (85mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Toxicology and Applied Pharmacology. Vol. 13, Pg. 242, 1968.
mouse	LD50	oral	270mg/kg (270mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: EXCITEMENT	Toxicology and Applied Pharmacology. Vol. 13, Pg. 242, 1968.
mouse	LD50	subcutaneous	312mg/kg (312mg/kg)		Drugs in Japan Vol. 6, Pg. 504, 1982.
rat	LD50	intraperitoneal	174mg/kg (174mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Toxicology and Applied Pharmacology. Vol. 13, Pg. 242, 1968.
rat	LD50	intravenous	72mg/kg (72mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Toxicology and Applied Pharmacology. Vol. 13, Pg. 242, 1968.
rat	LD50	oral	261mg/kg (261mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rat	LD50	subcutaneous	312mg/kg (312mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Toxicology and Applied Pharmacology. Vol. 13, Pg. 242, 1968.

Product Name

Doxapram hydrochloride monohydrate

Doxapram hydrochloride monohydrate Specification

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