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Vabicaserin hydrochloride

CAT: 0931-T13275-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T13275-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
887258-94-8
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9842
Bioactivity
Vabicaserin hydrochloride (SCA 136) is a selective agonist of 5-hydroxytryptamine 2C (5-HT2C) receptor (EC50: 8 nM) .
Smiles
Cl.[H][C@@]12CCC[C@]1([H])c1cccc3CNCCN(C2)c13
Molecular Formula
C15H21ClN2
Molecular Weight
264.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vabicaserin Hydrochloride
CAS Number887258-94-8
PubChem CID11521821
IUPAC Name(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride
Molecular FormulaC15H21ClN2
Molecular Weight264.79
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity291
SMILES
C1C[C@H]2CN3CCNCC4=C3C(=CC=C4)[C@H]2C1.Cl
InChI
InChI=1S/C15H20N2.ClH/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17;/h1,3,6,12-13,16H,2,4-5,7-10H2;1H/t12-,13-;/m0./s1
InChIKey
PYPPENBDXAWXJC-QNTKWALQSA-N
Chemical Structure
2D Structure
2D structure of Vabicaserin Hydrochloride
CAS: 887258-94-8
CID: 11521821
Formula: C15H21ClN2
MW: 264.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.79
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass264.1393264
Monoisotopic Mass264.1393264
Topological Polar Surface Area15.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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A19403-50Vabicaserin hydrochloride 50mg
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