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A-304121

CAT: 0931-T29508-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29508-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
360551-71-9
Target
Histamine Receptor, Others
Related Pathways
GPCR/G Protein, Neuroscience, Others, Immunology/Inflammation
Bioactivity
A-304121 is a histamine H (3) receptor.
Smiles
C(=O)(C1CC1)C2=CC=C(OCCCN3CCN(C([C@@H](C)N)=O)CC3)C=C2
Molecular Formula
C20H29N3O3
Molecular Weight
359.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 304121
CAS Number360551-71-9
PubChem CID9906860
IUPAC Name(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one
Molecular FormulaC20H29N3O3
Molecular Weight359.5
XLogP1.2
Topological Polar Surface Area75.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity479
SMILES
C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3CC3)N
InChI
InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1
InChIKey
KPXVCGPCRXEDLT-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of A 304121
CAS: 360551-71-9
CID: 9906860
Formula: C20H29N3O3
MW: 359.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.5
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass359.22089180
Monoisotopic Mass359.22089180
Topological Polar Surface Area75.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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