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BRL-15572 50mg

CAT: 0628-A11178-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11178-50Size:50 mg
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CAS Number
193611-72-2

Chemical Information

1-Piperazineethanol, 4-(3-chlorophenyl)-alpha-(diphenylmethyl)-, hydrochloride (1:2)

3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol hydrochloride is a hydrochloride that is the monohydrochloride salt of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol. A selective h5-HT1D antagonist, displaying 60-fold selectivity over h5-HT1B, and exhibiting little or no affinity for a range of other receptor types. It has a role as a serotonergic antagonist and a prodrug. It contains a 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+).

CAS Number193611-72-2
PubChem CID11957475
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride
Molecular FormulaC25H28Cl2N2O
Molecular Weight443.4
Topological Polar Surface Area26.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity451
SMILES
C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl.Cl
InChI
InChI=1S/C25H27ClN2O.ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;/h1-13,18,24-25,29H,14-17,19H2;1H
InChIKey
KQGJIKWDFWLCHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Piperazineethanol, 4-(3-chlorophenyl)-alpha-(diphenylmethyl)-, hydrochloride (1:2)
CAS: 193611-72-2
CID: 11957475
Formula: C25H28Cl2N2O
MW: 443.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass442.1578689
Monoisotopic Mass442.1578689
Topological Polar Surface Area26.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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