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SB 258719 hydrochloride

CAT: 0931-T23319Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T23319Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217674-10-6
Target
Others, 5-HT Receptor
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
Selective 5-HT7 receptor antagonist
Smiles
S(N([C@@H](CCN1CCC(C)CC1)C)C)(=O)(=O)C2=CC(C)=CC=C2.Cl
Molecular Formula
C18H31ClN2O2S
Molecular Weight
374.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SB 258719 hydrochloride
CAS Number1217674-10-6
PubChem CID56972181
IUPAC NameN,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide;hydrochloride
Molecular FormulaC18H31ClN2O2S
Molecular Weight375.0
Topological Polar Surface Area49
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity452
SMILES
CC1CCN(CC1)CC[C@@H](C)N(C)S(=O)(=O)C2=CC=CC(=C2)C.Cl
InChI
InChI=1S/C18H30N2O2S.ClH/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18;/h5-7,14-15,17H,8-13H2,1-4H3;1H/t17-;/m1./s1
InChIKey
UIZKHTBWJSUGOV-UNTBIKODSA-N
Chemical Structure
2D Structure
2D structure of SB 258719 hydrochloride
CAS: 1217674-10-6
CID: 56972181
Formula: C18H31ClN2O2S
MW: 375.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass374.1794771
Monoisotopic Mass374.1794771
Topological Polar Surface Area49 Ų
Heavy Atom Count24
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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