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Salbutamol Sulfate

CAT: 1596-AR-S09273Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S09273Size:250 Units
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CAS Number
51022-70-9
Synonyms
(1RS) -2-[ (1,1-Dimethylethyl) amino]-1-[4-hydroxy-3- (hydroxymethyl) phenyl]ethanol Sulfate salt (as per EP)
Molecular Formula
C13H21NO3 : 1/2 (H2SO4)
Molecular Weight
239.3 : 1/2 (98.1)
API Name
Salbutamol

Chemical Information

Salbutamol Sulfate
CAS Number51022-70-9
PubChem CID9884233
IUPAC Name4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid
Molecular FormulaC13H23NO7S
Molecular Weight337.39
Topological Polar Surface Area156
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity309
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
InChI
InChI=1S/C13H21NO3.H2O4S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)
InChIKey
OVICLFZZVQVVFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Salbutamol Sulfate
CAS: 51022-70-9
CID: 9884233
Formula: C13H23NO7S
MW: 337.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.39
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass337.11952325
Monoisotopic Mass337.11952325
Topological Polar Surface Area156 Ų
Heavy Atom Count22
Formal Charge0
Complexity309
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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Alternative Products

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A10819-1000Salbutamol sulfate (Albuterol) 1g
RM-S010217-01Salbutamol Sulfate EP Impurity P
RM-S010213-01Salbutamol Sulfate EP Impurity Q

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