Paroxol Tosylate

CAT: 0024-sc-212528Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-212528Size:25 mg

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CAS Number

317323-77-6

Chemical Information

trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine

CAS Number	317323-77-6
PubChem CID	9951646
IUPAC Name	[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl 4-methylbenzenesulfonate
Molecular Formula	C20H24FNO3S
Molecular Weight	377.5
XLogP	3.8
Topological Polar Surface Area	55
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	534

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CN(CC[C@H]2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H24FNO3S/c1-15-3-9-19(10-4-15)26(23,24)25-14-17-13-22(2)12-11-20(17)16-5-7-18(21)8-6-16/h3-10,17,20H,11-14H2,1-2H3/t17-,20-/m0/s1

InChIKey

LYVSPZZHZZMALL-PXNSSMCTSA-N

Chemical Structure

2D Structure

CAS: 317323-77-6

CID: 9951646

Formula: C20H24FNO3S

MW: 377.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.5
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	377.14609296
Monoisotopic Mass	377.14609296
Topological Polar Surface Area	55 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	534
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-219562	Paroxol
sc-219562A	Paroxol
sc-470180	Paroxol Methanesulfonate
sc-470504	Rac-trans Paroxol
sc-219125	N-Desmethyl Paroxol
sc-204920	Tosufloxacin tosylate
sc-215527A	N744 tosylate
sc-237324	Triisobutylmethylphosphonium tosylate
sc-204315	Suplatast tosylate
sc-391228	Clofilium tosylate