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Salbutamon Hydrochloride

CAT: 0572-TRC-S085500-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S085500-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41489-89-8
Synonyms
2-[(1,1-Dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone Hydrochloride; Salbutamol Sulphate Imp. J (EP) as Hydrochloride; Salbutamone Hydrochloride; AH 3906A; Ph Eur Salbutamol Impurity J; Salbutamol ketone; Albuterol Related Compound B as Hydrocloride as Hydrochloride; Salbutamol Impurity J as Hydrochloride; Salbutamol Sulfate Impurity J as Hydrochloride; Salbutamol Impurity J as Hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.CC(C)(C)NCC(=O)c1ccc(O)c(CO)c1
Molecular Formula
C13 H19 N O3 . Cl H
Molecular Weight
273.76
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
Additionnal Information
IUPAC name: 2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Salbutamon Hydrochloride

See also: Salbutamol Hydrochloride EP Impurity J (annotation moved to).

CAS Number41489-89-8
PubChem CID20535401
IUPAC Name2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone;hydrochloride
Molecular FormulaC13H20ClNO3
Molecular Weight273.75
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity260
SMILES
CC(C)(C)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
InChIKey
OFWSQQUAGFEQOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Salbutamon Hydrochloride
CAS: 41489-89-8
CID: 20535401
Formula: C13H20ClNO3
MW: 273.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.75
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass273.1131712
Monoisotopic Mass273.1131712
Topological Polar Surface Area69.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity260
Isotope Atom Count0
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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