Cilostamide

CAT: 0127-BUP05815-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05815-03Size:10 mg

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CAS Number

68550-75-4

Synonyms

OPC3689

Purity

=95%

Smiles

CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1

Chemical Information

Cilostamide

N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide is a member of quinolines.

CAS Number	68550-75-4
PubChem CID	2753
IUPAC Name	N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
Molecular Formula	C20H26N2O3
Molecular Weight	342.4
XLogP	2.9
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	499

SMILES

CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3

InChI

InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)

InChIKey

UIAYVIIHMORPSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68550-75-4

CID: 2753

Formula: C20H26N2O3

MW: 342.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.4
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	342.19434270
Monoisotopic Mass	342.19434270
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	499
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BML-PD125-0005	Cilostamide