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Pheniramine hydrochloride - Compound Summary (CID 91402)

Depositor-Supplied Synonyms: (Total: 8)
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Pheniramine hydrochloride
Prophenpyridamine hydrochloride
CID91402
LS-131440
1-Phenyl-1-(2-pyridyl)-3-dimethylaminopropane hydrochloride
2-Pyridinepropanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride
Pyridine, 2-(alpha-(2-(dimethylamino)ethyl)benzyl)-, hydrochloride
25332-09-6


Properties Computed from Structure:
Molecular Weight276.80434 [g/mol]
Molecular FormulaC16H21ClN2
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count5
Tautomer Count2
Exact Mass276.139326
MonoIsotopic Mass276.139326
Topological Polar Surface Area16.1
Heavy Atom Count19
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2


Descriptors Computed from Structure:
IUPAC Name: N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine hydrochloride
Canonical SMILES: CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2.Cl
InChI: InChI=1S/C16H20N2.ClH/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-
16;/h3-10,12,15H,11,13H2,1-2H3;1H
InChIKey: LAWLMXPSCYHMNV-UHFFFAOYSA-N


Compound Information:
CID 91402   
Create Date: 2005-08-08
Parent CID 4761
Unique Components: 2 Links


Similar Compounds: 4462 Links


Substance Information:
Substances: 6 Links

Category: [for same structure substances]
Biological Properties: 3 Links
   DiscoveryGate ( 1 )
SID 10224770 - External ID: 91402
   LeadScope ( 1 )
SID 50032399 - External ID: LS-131440
   NextBio ( 1 )
SID 53029686 - External ID: 91402

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 14750759 - External ID: 00072544

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 44422355 - External ID: 82534

Toxicology: 1 Link
   ChemIDplus ( 1 )
SID 668143 - External ID: 025332096
     

2D

3D
Compound ID91402
Molecular Weight276.80434 [g/mol]
Molecular FormulaC16H21ClN2
H-Bond Donor1
H-Bond Acceptor2


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