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Olodaterol hydrochloride

CAT: 0926-FO156964-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FO156964-01Size:25 mg
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CAS Number
869477-96-3
Smiles
CC (C) (CC1=CC=C (C=C1) OC) NC[C@@H] (C2=C3C (=CC (=C2) O) NC (=O) CO3) O.Cl
Molecular Formula
C21H26N2O5·HCl
Molecular Weight
422.9 g/mol
Controlled
No

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
Loading 3D structure...
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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