ZK 756326

CAT: 0024-sc-203726Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-203726Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

874911-96-3

Chemical Information

ZK 756326

CAS Number	874911-96-3
PubChem CID	56972201
IUPAC Name	2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride
Molecular Formula	C21H30Cl2N2O3
Molecular Weight	429.4
Topological Polar Surface Area	45.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	28
Formal Charge	0
Complexity	368

SMILES

C1CN(CCN1CCOCCO)CC2=CC(=CC=C2)OC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H28N2O3.2ClH/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20;;/h1-8,17,24H,9-16,18H2;2*1H

InChIKey

MPACCEKWFGWZHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 874911-96-3

CID: 56972201

Formula: C21H30Cl2N2O3

MW: 429.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	429.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	428.1633482
Monoisotopic Mass	428.1633482
Topological Polar Surface Area	45.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	368
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	3
Compound Is Canonicalized	Yes

Catalog	Name
B7109-25	ZK 756326
MBS565595-01	ZK-756326
530328	ZK-756326 dihydrochloride
257171-01	ZK 756326 discontinued
A16363-50	ZK-756326 dihydrochloride 50mg
A16363-25	ZK-756326 dihydrochloride 25mg
A16363-5	ZK-756326 dihydrochloride 5mg
A16363-100	ZK-756326 dihydrochloride 100mg
A16363-10	ZK-756326 dihydrochloride 10mg
217882	ZK-756326 (2-[2-[4-[ (3-phenoxyphenyl) methyl]-1-piperazinyl]ethoxy]ethanol Dihydrochloride, ZK756326, ZK 756326) discontinued