Dofequidar 25mg

CAT: 0628-A22042-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A22042-25Size:25 mg

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CAS Number

129716-58-1

Chemical Information

Dofequidar

Dofequidar is an antineoplastic agent.

CAS Number	129716-58-1
PubChem CID	213040
IUPAC Name	1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone
Molecular Formula	C30H31N3O3
Molecular Weight	481.6
XLogP	4.1
Topological Polar Surface Area	65.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	36
Formal Charge	0
Complexity	652

SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2

InChIKey

KLWUUPVJTLHYIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129716-58-1

CID: 213040

Formula: C30H31N3O3

MW: 481.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	481.6
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	481.23654186
Monoisotopic Mass	481.23654186
Topological Polar Surface Area	65.9 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	652
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

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Catalog	Name
TQ0043-01	Dofequidar
B1167-50	Dofequidar fumarate
HY-17013A-01	Dofequidar (fumarate)
HY-17013D	Dofequidar (sesquifumarate)
HY-17013AR-01	Dofequidar (fumarate) (Standard)
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Dofequidar 25mg

Chemical Information

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