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Salbutamon-d9 Hydrochloride

CAT: 0572-TRC-S085502-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S085502-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346605-08-0
Synonyms
2-[(1,1-Dimethylethyl-d9)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone Hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.[2H]C([2H])([2H])C(NCC(=O)c1ccc(O)c(CO)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C13 D9 H10 N O3 . Cl H
Molecular Weight
282.81
InChI
InChI=1S/C13H19NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,14-16H,7-8H2,1-3H3;1H/i1D3,2D3,3D3;
Additionnal Information
IUPAC name: 1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-[[2,2,2-trideuterio-1,1-bis(trideuteriomethyl)ethyl]amino]ethanone;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Salbutamon-d9 Hydrochloride
CAS Number1346605-08-0
PubChem CID71752149
IUPAC Name2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone;hydrochloride
Molecular FormulaC13H20ClNO3
Molecular Weight282.81
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity260
SMILES
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(=O)C1=CC(=C(C=C1)O)CO.Cl
InChI
InChI=1S/C13H19NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,14-16H,7-8H2,1-3H3;1H/i1D3,2D3,3D3;
InChIKey
OFWSQQUAGFEQOV-KYRNGWDOSA-N
Chemical Structure
2D Structure
2D structure of Salbutamon-d9 Hydrochloride
CAS: 1346605-08-0
CID: 71752149
Formula: C13H20ClNO3
MW: 282.81
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.81
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass282.1696619
Monoisotopic Mass282.1696619
Topological Polar Surface Area69.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity260
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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