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Terbutaline EP Impurity D HBr

CAT: 1596-AR-T01729-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01729-01Size:25 Units
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CAS Number
1797117-23-7
Synonyms
1- (3,5-Dihydroxyphenyl) -2-[ (1,1-dimethylethyl) (phenylmethyl) amino]ethanone Hydrobromide
Molecular Formula
C19H23NO3. HBr
Molecular Weight
313.40 80.91
API Name
Terbutaline

Chemical Information

1-(3,5-Dihydroxyphenyl)-2-[(1,1-dimethylethyl)(phenylmethyl)amino]ethanone Hydrobromide
CAS Number1797117-23-7
PubChem CID121230792
IUPAC Name2-[benzyl(tert-butyl)amino]-1-(3,5-dihydroxyphenyl)ethanone;hydrobromide
Molecular FormulaC19H24BrNO3
Molecular Weight394.3
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity375
SMILES
CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=CC(=C2)O)O.Br
InChI
InChI=1S/C19H23NO3.BrH/c1-19(2,3)20(12-14-7-5-4-6-8-14)13-18(23)15-9-16(21)11-17(22)10-15;/h4-11,21-22H,12-13H2,1-3H3;1H
InChIKey
ROBMDUUOTVWJEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,5-Dihydroxyphenyl)-2-[(1,1-dimethylethyl)(phenylmethyl)amino]ethanone Hydrobromide
CAS: 1797117-23-7
CID: 121230792
Formula: C19H24BrNO3
MW: 394.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass393.09396
Monoisotopic Mass393.09396
Topological Polar Surface Area60.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity375
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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