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Fenalcomine

CAT: 0931-T69400-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69400-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34616-39-2
Target
Others
Related Pathways
Others
Bioactivity
Fenalcomine inhibits the action of prostaglandins on smooth muscle but stimulates TXA2.
Smiles
C(CC)(O)C1=CC=C(OCCNC(CC2=CC=CC=C2)C)C=C1
Molecular Formula
C20H27NO2
Molecular Weight
313.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fenalcomine

Fenalcomine is a member of amphetamines.

CAS Number34616-39-2
PubChem CID71934
IUPAC Name1-[4-[2-(1-phenylpropan-2-ylamino)ethoxy]phenyl]propan-1-ol
Molecular FormulaC20H27NO2
Molecular Weight313.4
XLogP3.9
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity296
SMILES
CCC(C1=CC=C(C=C1)OCCNC(C)CC2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO2/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17/h4-12,16,20-22H,3,13-15H2,1-2H3
InChIKey
DOBLSWXRNYSVDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenalcomine
CAS: 34616-39-2
CID: 71934
Formula: C20H27NO2
MW: 313.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass313.204179104
Monoisotopic Mass313.204179104
Topological Polar Surface Area41.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity296
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5811948Fenalcomine
GTR19211090-01Fenalcomine hydrochloride

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