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Olodaterol hydrochloride

CAT: 0244-S5925-1gSize: 1 gDry Ice: NoHazardous: No
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CAS Number
869477-96-3

Chemical Information

Olodaterol Hydrochloride

Olodaterol hydrochloride is a hydrochloride obtained by combining olodaterol with one equivalent of hydrochloric acid. Used for long-term treatment of airflow obstruction in patients with chronic obstructive pulmonary disease including chronic bronchitis and/or emphysema. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It contains an olodaterol(1+).

CAS Number869477-96-3
PubChem CID11711522
IUPAC Name6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
Molecular FormulaC21H27ClN2O5
Molecular Weight422.9
Topological Polar Surface Area100
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity521
SMILES
CC(C)(CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C(=CC(=C2)O)NC(=O)CO3)O.Cl
InChI
InChI=1S/C21H26N2O5.ClH/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17;/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26);1H/t18-;/m0./s1
InChIKey
KCEHVJZZIGJAAW-FERBBOLQSA-N
Chemical Structure
2D Structure
2D structure of Olodaterol Hydrochloride
CAS: 869477-96-3
CID: 11711522
Formula: C21H27ClN2O5
MW: 422.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass422.1608497
Monoisotopic Mass422.1608497
Topological Polar Surface Area100 Ų
Heavy Atom Count29
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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