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Labetalol Impurity 61

CAT: 1299-RM-L010261-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L010261-01Size:10 mg
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CAS Number
56290-94-9
Synonyms
5- (2- ((4- (benzo[d][1,3]dioxol-5-yl) butan-2-yl) amino) -1-hydroxyethyl) -2-hydroxybenzamide
Molecular Formula
C20H24N2O5
Molecular Weight
372.42
Target Alternative Name
Labetalol
Product Name Synonym
5- (2- ((4- (benzo[d][1,3]dioxol-5-yl) butan-2-yl) amino) -1-hydroxyethyl) -2-hydroxybenzamide

Chemical Information

Medroxalol

Medroxalol is a member of salicylamides.

CAS Number56290-94-9
PubChem CID41835
IUPAC Name5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
Molecular FormulaC20H24N2O5
Molecular Weight372.4
XLogP2.9
Topological Polar Surface Area114
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity491
SMILES
CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)C(=O)N)O
InChI
InChI=1S/C20H24N2O5/c1-12(2-3-13-4-7-18-19(8-13)27-11-26-18)22-10-17(24)14-5-6-16(23)15(9-14)20(21)25/h4-9,12,17,22-24H,2-3,10-11H2,1H3,(H2,21,25)
InChIKey
MPQWSYJGFLADEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Medroxalol
CAS: 56290-94-9
CID: 41835
Formula: C20H24N2O5
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass372.16852187
Monoisotopic Mass372.16852187
Topological Polar Surface Area114 Ų
Heavy Atom Count27
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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