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Pirbuterol Acetate

CAT: 0572-TRC-P502495-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P502495-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65652-44-0
Synonyms
2,6-Pyridinedimethanol, α6-[[(1,1-dimethylethyl)amino]methyl]-3-hydroxy-, acetate (1:1); 2,6-Pyridinedimethanol, α6-[[(1,1-dimethylethyl)amino]methyl]-3-hydroxy-, monoacetate (salt) (9CI); CP 24314-14; Maxair; Pirbuterol acetate; Spirolair
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
Molecular Formula
C12 H20 N2 O3 . C2 H4 O2
Molecular Weight
300.35
InChI
InChI=1S/C12H20N2O3.C2H4O2/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;1-2(3)4/h4-5,11,13,15-17H,6-7H2,1-3H3;1H3,(H,3,4)
Additionnal Information
IUPAC name: acetic acid;6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pirbuterol Acetate

Pirbuterol acetate is a hydroxypyridine.

CAS Number65652-44-0
PubChem CID171674
IUPAC Nameacetic acid;6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
Molecular FormulaC14H24N2O5
Molecular Weight300.35
Topological Polar Surface Area123
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity261
SMILES
CC(=O)O.CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O
InChI
InChI=1S/C12H20N2O3.C2H4O2/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;1-2(3)4/h4-5,11,13,15-17H,6-7H2,1-3H3;1H3,(H,3,4)
InChIKey
QSXMZJGGEWYVCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pirbuterol Acetate
CAS: 65652-44-0
CID: 171674
Formula: C14H24N2O5
MW: 300.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.35
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass300.16852187
Monoisotopic Mass300.16852187
Topological Polar Surface Area123 Ų
Heavy Atom Count21
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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