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Home Sulfos Phenol, 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]-, hydrochloride (1:1)

Phenol, 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]-, hydrochloride (1:1)

CAS No.:
261901-57-9
Catalog Number:
AG002S4Z
Molecular Formula:
C18H29ClN2O3S
Molecular Weight:
388.9525
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$166
- +
10mg
≥98%
1 week
United States
$265
- +
25mg
≥98%
1 week
United States
$523
- +
50mg
98%
1 week
United States
$857
- +
Product Description
Catalog Number:
AG002S4Z
Chemical Name:
Phenol, 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]-, hydrochloride (1:1)
CAS Number:
261901-57-9
Molecular Formula:
C18H29ClN2O3S
Molecular Weight:
388.9525
MDL Number:
MFCD03788020
IUPAC Name:
3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol;hydrochloride
InChI:
InChI=1S/C18H28N2O3S.ClH/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18;/h2,5-6,14-16,21H,3-4,7-13H2,1H3;1H/t16-;/m1./s1
InChI Key:
XQCJOYZLWFNDIO-PKLMIRHRSA-N
SMILES:
CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O.Cl
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
388.159g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
388.951g/mol
Monoisotopic Mass:
388.159g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. Nature chemical biology 20091001
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Bioorganic & medicinal chemistry letters 20021118
Properties