CAS No.62929-91-3,PROCATEROL HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62929-91-3
Name:	PROCATEROL HYDROCHLORIDE

Formula:	C₁₆H₂₂N₂O₃^.HCl
Molecular Weight:	326.86
Synonyms:	Procaterol hydrochloride;2(1H)-Quinolinone, 8-hydroxy-5-[(1R,2S)-1-hydroxy-2-[(1-methylethyl)amino]butyl]-, monohydrochloride, rel- (9CI);2(1H)-Quinolinone, 8-hydroxy-5-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-, monohydrochloride, (R,S)-(±)-;2(1H)-Quinolinone, 8-hydroxy-5-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-, monohydrochloride, (R,S)-;OPC 2009;
EINECS:	263-763-0
Boiling Point:	539.5 °C at 760 mmHg
Flash Point:	280.1 °C
PSA:	85.35000
LogP:	3.23660

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Specification

The Meptin, with the CAS registry number 62929-91-3, is also known as 2(1H)-Quinolinone, 8-hydroxy-5-[(1R,2S)-1-hydroxy-2-[(1-methylethyl)amino]butyl]-, monohydrochloride, rel- (9CI). It belongs to the product category of Adrenoceptor. Its EINECS number is 263-763-0. This chemical's molecular formula is C₁₆H₂₂N₂O₃^.HCl and molecular weight is 326.82. What's more, its systematic name is 8-Hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one hydrochloride. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Reproductive Effect. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, light and bases. This chemical is used for the treatment with various types of bronchial asthma, asthmatic bronchitis, chronic obstructive pulmonary disease and acute bronchitis and other diseases.

Physical properties of Meptin are: (1)ACD/LogP: 1.369; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.45; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 42.01 Å²; (13)Flash Point: 280.1 °C; (14)Enthalpy of Vaporization: 85.98 kJ/mol; (15)Boiling Point: 539.5 °C at 760 mmHg; (16)Vapour Pressure: 1.79E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C2/C=C\c1c(c(O)ccc1[C@@H](O)[C@@H](NC(C)C)CC)N2
(2)Std. InChI: InChI=1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H/t12-,16+;/m0./s1
(3)Std. InChIKey: AEQDBKHAAWUCMT-CVHDTDHSSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LD50	intravenous	100mg/kg (100mg/kg)	Drugs in Japan Vol. 6, Pg. 719, 1982.
dog	LD50	oral	> 5gm/kg (5000mg/kg)	Drugs in Japan Vol. 6, Pg. 719, 1982.
mouse	LD50	intraperitoneal	330mg/kg (330mg/kg)	Drugs in Japan Vol. 6, Pg. 719, 1982.
mouse	LD50	intravenous	70300ug/kg (70.3mg/kg)	United States Patent Document. Vol. #4579854,
mouse	LD50	oral	3200mg/kg (3200mg/kg)	Drugs in Japan Vol. 6, Pg. 719, 1982.
mouse	LD50	subcutaneous	370mg/kg (370mg/kg)	Drugs in Japan Vol. 6, Pg. 719, 1982.
rabbit	LD50	intravenous	83mg/kg (83mg/kg)	Drugs in Japan Vol. 6, Pg. 719, 1982.
rabbit	LD50	oral	> 5gm/kg (5000mg/kg)	Drugs in Japan Vol. 6, Pg. 719, 1982.
rat	LD50	intraperitoneal	487mg/kg (487mg/kg)	Oyo Yakuri. Pharmacometrics. Vol. 22, Pg. 191, 1981.
rat	LD50	intravenous	80mg/kg (80mg/kg)	United States Patent Document. Vol. #4026897,
rat	LD50	oral	2600mg/kg (2600mg/kg)	United States Patent Document. Vol. #4026897,
rat	LD50	subcutaneous	900mg/kg (900mg/kg)	Drugs in Japan Vol. 6, Pg. 719, 1982.