Procaterol Impurity 7

CAT: 1299-RM-P032007-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P032007-02Size:25 mg

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CAS Number

63235-39-2

Synonyms

8-hydroxy-5- (2- (isopropylamino) butanoyl) quinolin-2 (1H) -one

Molecular Formula

C16H20N2O3

Molecular Weight

288.34

Target Alternative Name

Procaterol

Product Name Synonym

8-hydroxy-5- (2- (isopropylamino) butanoyl) quinolin-2 (1H) -one

Chemical Information

8-Hydroxy-5-[2-[(1-methylethyl)amino]-1-oxobutyl]-2(1H)-quinolinone

CAS Number	63235-39-2
PubChem CID	12374145
IUPAC Name	8-hydroxy-5-[2-(propan-2-ylamino)butanoyl]-1H-quinolin-2-one
Molecular Formula	C16H20N2O3
Molecular Weight	288.34
XLogP	2
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	433

SMILES

CCC(C(=O)C1=C2C=CC(=O)NC2=C(C=C1)O)NC(C)C

InChI

InChI=1S/C16H20N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,17,19H,4H2,1-3H3,(H,18,20)

InChIKey

LCMWSWALJPFSEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63235-39-2

CID: 12374145

Formula: C16H20N2O3

MW: 288.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.34
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	288.14739250
Monoisotopic Mass	288.14739250
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	433
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes