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R-ALBUTEROL HYDROCHLORIDE(CAS No. 148563-16-0)

R-ALBUTEROL HYDROCHLORIDE C13H21NO3 (cas 148563-16-0) Molecular Structure

148563-16-0 Structure

Identification and Related Records

【Name】
R-ALBUTEROL HYDROCHLORIDE
【Iupac name】
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;
sulfuric acid
【CAS Registry number】
148563-16-0
【Synonyms】
R-ALBUTEROL HYDROCHLORIDE
1,3-Benzenedimethanol, a1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, (a1R)-, sulfate (2:1) (salt) (9CI)
Levalbuterol sulfate
【Molecular Formula】
C13H21NO3 (Products with the same molecular formula)
【Molecular Weight】
239.3107
【Inchi】
InChI=1/C13H21NO3.H2O4S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)/t12-;/m0./s1
【Canonical SMILES】
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
【Isomers smiles】
CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
【MOL File】
148563-16-0.mol

Chemical and Physical Properties

【Density】
1.152 g/cm3
【Boiling Point】
433.5 °C at 760 mmHg
【Flash Point】
159.5 °C
【Computed Properties】
Molecular Weight:337.38922 [g/mol]
Molecular Formula:C13H23NO7S
H-Bond Donor:6
H-Bond Acceptor:8
Rotatable Bond Count:5
Tautomer Count:3
Exact Mass:337.119523
MonoIsotopic Mass:337.119523
Topological Polar Surface Area:156
Heavy Atom Count:22
Formal Charge:0
Complexity:309
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Supplier Location

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Manus Aktteva, India
Country:IndiaIndia
Business Type:Manufacturer
Telephone:+91 79 30071152

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