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CP 141938

CAT: 0024-sc-214773Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-214773Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
182822-62-4

Chemical Information

rel-N-[4-Methoxy-3-[[[(2R,3R)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-N-methyl-methanesulfonamide
CAS Number182822-62-4
PubChem CID10363809
IUPAC NameN-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide
Molecular FormulaC21H29N3O3S
Molecular Weight403.5
XLogP2.1
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity574
SMILES
CN(C1=CC(=C(C=C1)OC)CN[C@H]2CCCN[C@H]2C3=CC=CC=C3)S(=O)(=O)C
InChI
InChI=1S/C21H29N3O3S/c1-24(28(3,25)26)18-11-12-20(27-2)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1
InChIKey
GZLOIBNBDUHEFY-FPOVZHCZSA-N
Chemical Structure
2D Structure
2D structure of rel-N-[4-Methoxy-3-[[[(2R,3R)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-N-methyl-methanesulfonamide
CAS: 182822-62-4
CID: 10363809
Formula: C21H29N3O3S
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass403.19296297
Monoisotopic Mass403.19296297
Topological Polar Surface Area79.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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