CAS No.70024-40-7,Terazosin hydrochloride dihydrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70024-40-7
Name:	Terazosin hydrochloride dihydrate
Article Data:	5

Formula:	C₁₉H₂₅N₅O₄^.HCl^.2(H₂O)
Molecular Weight:	441.915
Synonyms:	Piperazine,1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(tetrahydro-2-furanyl)carbonyl]-,monohydrochloride, dihydrate (9CI);Terazosin monohydrochloride dihydrate;
EINECS:	629-697-5
Melting Point:	271-274 °C
Boiling Point:	664.5 °C at 760 mmHg
Flash Point:	355.7 °C
Appearance:	white or off-white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	121.50000
LogP:	2.31430

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Specification

The IUPAC name of Methanone,[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](tetrahydro-2-furanyl)-,hydrochloride, hydrate (1:1:2) is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone dihydrate hydrochloride. With the CAS registry number 70024-40-7, it is also named as 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tetrahydro-2-furoyl)piperazine monohydrochloride dihydrate; Terazosin hydrochloride dihydrate. The product's categories are active pharmaceutical ingredients and antihypertensive. It is white or off-white crystalline powder which is used as anti-hypertensive pharmaceutical raw material.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -1.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.42; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Enthalpy of Vaporization: 97.72 kJ/mol; (13)Vapour Pressure: 1.59E-17 mmHg at 25°C; (14)Rotatable Bond Count: 4; (15)Tautomer Count: 3; (16)Exact Mass: 459.188461; (17)MonoIsotopic Mass: 459.188461; (18)Topological Polar Surface Area: 105; (19)Heavy Atom Count: 31.

People can use the following data to convert to the molecule structure.
1.Smiles: c12c(nc(N3CCN(C([C@@H]4CCCO4)=O)CC3)nc2N)cc(OC)c(c1)OC.Cl.O.O;
2.InChI: InChI=1/C19H25N5O4.ClH.2H2O/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;;;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H;2*1H2.

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	237mg/kg (237mg/kg)	BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 505, 1987.
mouse	LD50	oral	> 8gm/kg (8000mg/kg)		Drugs in Japan Vol. -, Pg. 704, 1990.
mouse	LD50	subcutaneous	956mg/kg (956mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 505, 1987.
rat	LD50	intravenous	255mg/kg (255mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	New Cardiovascular Drugs. Vol. 4, Pg. 1, 1986.
rat	LD50	oral	5500mg/kg (5500mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	New Cardiovascular Drugs. Vol. 4, Pg. 1, 1986.
rat	LD50	subcutaneous	1050mg/kg (1050mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 505, 1987.