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T62

CAS No.:
40312-34-3
Catalog Number:
AG00D6FL
Molecular Formula:
C15H14ClNOS
Molecular Weight:
291.7958
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Product Description
Catalog Number:
AG00D6FL
Chemical Name:
T62
CAS Number:
40312-34-3
Molecular Formula:
C15H14ClNOS
Molecular Weight:
291.7958
MDL Number:
MFCD00451472
IUPAC Name:
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-chlorophenyl)methanone
InChI:
InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2
InChI Key:
OTZVBZFYMFTYKH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1c(N)sc2c1CCCC2
UNII:
9Q765ZIF8L
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.048g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.793g/mol
Monoisotopic Mass:
291.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
Mining biologically-active molecules for inhibitors of fatty acid amide hydrolase (FAAH): identification of phenmedipham and amperozide as FAAH inhibitors. Bioorganic & medicinal chemistry letters 20091201
Synthesis and biological characterization of [3H] (2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-(4-chlorophenyl)-methanone, the first radiolabelled adenosine A1 allosteric enhancer. Bioorganic & medicinal chemistry letters 20060301
Spinal adenosine receptor activation reduces hypersensitivity after surgery by a different mechanism than after nerve injury. Anesthesiology 20040501
Repeated dosing with oral allosteric modulator of adenosine A1 receptor produces tolerance in rats with neuropathic pain. Anesthesiology 20040401
Allosteric adenosine receptor modulation reduces hypersensitivity following peripheral inflammation by a central mechanism. The Journal of pharmacology and experimental therapeutics 20030601
2-Amino-3-aroyl-4,5-alkylthiophenes: agonist allosteric enhancers at human A(1) adenosine receptors. Journal of medicinal chemistry 20020117
Properties