MDL 72527

CAT: 1568-C04475-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C04475-5mgSize:5 mg

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

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CAS Number

93565-01-6

Additionnal Information

MDL 72527 is a potent polyamine oxidase (PAO) inhibitor. MDL 72527 shows a lysosomotropic effect. MDL 72527 shows neuroprotective effects.

Storage Conditions

3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Mdl-72527

RN given refers to di-HCl; RN for parent cpd not available 6/85; polyamine oxidase inhibitor

CAS Number	93565-01-6
PubChem CID	3035046
IUPAC Name	N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine;dihydrochloride
Molecular Formula	C12H22Cl2N2
Molecular Weight	265.22
Topological Polar Surface Area	24.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	16
Formal Charge	0
Complexity	184

SMILES

C=C=CCNCCCCNCC=C=C.Cl.Cl

InChI

InChI=1S/C12H20N2.2ClH/c1-3-5-9-13-11-7-8-12-14-10-6-4-2;;/h5-6,13-14H,1-2,7-12H2;2*1H

InChIKey

ITVRWVVFVHINOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 93565-01-6

CID: 3035046

Formula: C12H22Cl2N2

MW: 265.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.22
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	264.1160041
Monoisotopic Mass	264.1160041
Topological Polar Surface Area	24.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	184
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