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Labetalol EP Impurity D

CAT: 1596-AR-L01015-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01015-01Size:50 Units
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CAS Number
68807-83-0
Synonyms
5- (2-amino-1-hydroxyethyl) -2-hydroxybenzamide
Molecular Formula
C9H12N2O3
Molecular Weight
196.21
API Name
Labetalol

Chemical Information

5-(2-Amino-1-hydroxyethyl)-2-hydroxybenzamide
CAS Number68807-83-0
PubChem CID15565663
IUPAC Name5-(2-amino-1-hydroxyethyl)-2-hydroxybenzamide
Molecular FormulaC9H12N2O3
Molecular Weight196.20
XLogP-1.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity210
SMILES
C1=CC(=C(C=C1C(CN)O)C(=O)N)O
InChI
InChI=1S/C9H12N2O3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,8,12-13H,4,10H2,(H2,11,14)
InChIKey
WOEISFSYHVAQTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-Amino-1-hydroxyethyl)-2-hydroxybenzamide
CAS: 68807-83-0
CID: 15565663
Formula: C9H12N2O3
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass196.08479225
Monoisotopic Mass196.08479225
Topological Polar Surface Area110 Ų
Heavy Atom Count14
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-L06071-01Labetalol EP Impurity A
AR-L01014-01Labetalol EP Impurity C
AR-L01011-01Labetalol EP Impurity F HCl
AR-L01012-01Labetalol EP Impurity G HCl
AR-L06365-01N-Nitroso Labetalol EP Impurity G
AR-L01010-01Labetalol EP Impurity E (mixture of stereoisomers)
AR-L01004-01Labetalol EP Impurity A HCl (Mixture of Diastereomers)
AR-L06364-01N-Nitroso Labetalol EP Impurity C
AR-L01005-01Labetalol EP Impurity B HCl (Mixture of Diastereomers)
AR-L06360-01Labetalol EP Impurity G HCl (Mixture of Diastereomers)

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