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Cutamesine dihydrochloride

CAT: 0628-A12984-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12984-5Size:5 mg
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CAS Number
165377-44-6

Chemical Information

SA 4503

a sigma(1) receptor agonist; structure in first source

CAS Number165377-44-6
PubChem CID9954941
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
Molecular FormulaC23H34Cl2N2O2
Molecular Weight441.4
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity392
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3)OC.Cl.Cl
InChI
InChI=1S/C23H32N2O2.2ClH/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20;;/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3;2*1H
InChIKey
XWOXAKBQEMQMFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SA 4503
CAS: 165377-44-6
CID: 9954941
Formula: C23H34Cl2N2O2
MW: 441.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass440.1997337
Monoisotopic Mass440.1997337
Topological Polar Surface Area24.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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