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Samelisant dihydrochloride

CAT: 0931-T34752-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34752-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1394808-20-8
Target
Others, Histamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Immunology/Inflammation, Others
Bioactivity
SUVN-G3031 is a antagonist of histamine H3 receptor with potential for the treatment of cognitive impairment, dementia, attention deficit hyperactivity disorder, epilepsy, sleep disorders, obesity, schizophrenia, eating disorders, and pain.
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Cl.Cl.O=C(CN1CCOCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
Molecular Formula
C21H33Cl2N3O3
Molecular Weight
446.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-2-(morpholin-4-yl)acetamide dihydrochloride
CAS Number1394808-20-8
PubChem CID60151476
IUPAC NameN-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylacetamide;dihydrochloride
Molecular FormulaC21H33Cl2N3O3
Molecular Weight446.4
Topological Polar Surface Area54
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity463
SMILES
C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)NC(=O)CN4CCOCC4.Cl.Cl
InChI
InChI=1S/C21H31N3O3.2ClH/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18;;/h4-7,18,20H,1-3,8-16H2,(H,22,25);2*1H
InChIKey
LCPQCTBHZPMVFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-2-(morpholin-4-yl)acetamide dihydrochloride
CAS: 1394808-20-8
CID: 60151476
Formula: C21H33Cl2N3O3
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight446.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass445.1898973
Monoisotopic Mass445.1898973
Topological Polar Surface Area54 Ų
Heavy Atom Count29
Formal Charge0
Complexity463
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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