Procaterol Impurity 9

CAT: 1299-RM-P032009-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P032009-01Size:10 mg

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CAS Number

94198-40-0

Synonyms

8-hydroxy-5- ((1R,2R) -1-hydroxy-2- (isopropylamino) butyl) quinolin-2 (1H) -one and enantiomer

Molecular Formula

C16H22N2O3

Molecular Weight

290.36

Target Alternative Name

Procaterol

Product Name Synonym

8-hydroxy-5- ((1R,2R) -1-hydroxy-2- (isopropylamino) butyl) quinolin-2 (1H) -one and enantiomer

Chemical Information

Procaterol Impurity 9

CAS Number	94198-40-0
PubChem CID	688562
IUPAC Name	8-hydroxy-5-[(1R,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
Molecular Formula	C16H22N2O3
Molecular Weight	290.36
XLogP	1.5
Topological Polar Surface Area	81.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	397

SMILES

CC[C@H]([C@@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C

InChI

InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16-/m1/s1

InChIKey

FKNXQNWAXFXVNW-MLGOLLRUSA-N

Chemical Structure

2D Structure

CAS: 94198-40-0

CID: 688562

Formula: C16H22N2O3

MW: 290.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.36
XLogP3	1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	290.16304257
Monoisotopic Mass	290.16304257
Topological Polar Surface Area	81.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	397
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes