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Procaterol hydrochloride

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Name

Procaterol hydrochloride

EINECS 263-763-0
CAS No. 81262-93-3 Density N/A
PSA 85.35000 LogP 3.23660
Solubility N/A Melting Point 193-197° (dec)
Formula C16H22N2O3.ClH.1/2H2O Boiling Point 559.1oC at 760 mmHg
Molecular Weight 381.29 Flash Point 291.9oC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 81262-93-3 (Procaterol hydrochloride) Hazard Symbols N/A
Synonyms

Procaterol hydrochloride;

 

Procaterol hydrochloride Specification

1. Introduction of Procaterol hydrochloride
Procaterol hydrochloride is a kind of white or off-white powder. The Product Categories of this chemical is Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. The IUPAC Name of Procaterol hydrochloride is 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one hydrate dihydrochloride. Besides, it is sparingly soluble in water or methanol, slightly soluble in ethanol. And it should be stored at refrigerator, under inert atmosphere.

2. Properties of Procaterol hydrochloride
Physical properties about Procaterol hydrochloride are:
(1)H-Bond Donor: 11; (2)H-Bond Acceptor: 9; (3)Rotatable Bond Count: 10; (4)Tautomer Count: 11; (5)Exact Mass: 670.290005; (6)MonoIsotopic Mass: 670.290005; (7)Topological Polar Surface Area: 164; (8)Heavy Atom Count: 45; (9)Formal Charge: 0; (10)Complexity: 397; (11)Isotope Atom Count: 0; (12)Defined Atom Stereocenter Count: 4; (13)Undefined Atom Stereocenter Count: 0; (14)Defined Bond Stereocenter Count: 0; (15)Undefined Bond Stereocenter Count: 0; (16)Covalently-Bonded Unit Count: 5.

3. Structure Descriptors of Procaterol hydrochloride
(1)InChI: InChI=1S/2C16H22N2O3.2ClH.H2O/c2*1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;;;/h2*5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);2*1H;1H2/t2*12-,16+;;;/m11.../s1
(2)InChIKey: RZKAQAPBCFPJTK-GOPHCVLGSA-N
(3)Canonical SMILES : CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.O.Cl.Cl
(4)Isomeric SMILES: CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.O.Cl.Cl

4. Uses of Procaterol hydrochloride
Procaterol hydrochloride is a short-acting β2-adrenergic receptor agonist used to treat asthma.

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