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SB 258719 hydrochloride

CAT: 0013-GTR19200859Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200859Size:10 mg
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Description
SB 258719 hydrochloride
CAS Number
1217674-10-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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...
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