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Chembridge-5861528

CAS No.:
332117-28-9
Catalog Number:
AG00C6IQ
Molecular Formula:
C19H23N5O3
Molecular Weight:
369.4176
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$147
- +
10mg
97%
1 week
United States
$223
- +
25mg
≥98%
1 week
United States
$464
- +
50mg
97%
1 week
United States
$723
- +
100mg
97%
1 week
United States
$1223
- +
Product Description
Catalog Number:
AG00C6IQ
Chemical Name:
Chembridge-5861528
CAS Number:
332117-28-9
Molecular Formula:
C19H23N5O3
Molecular Weight:
369.4176
MDL Number:
MFCD01993436
IUPAC Name:
N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
InChI:
InChI=1S/C19H23N5O3/c1-5-12(2)13-6-8-14(9-7-13)21-15(25)10-24-11-20-17-16(24)18(26)23(4)19(27)22(17)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25)
InChI Key:
ZUTUWJYMCADJHD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C
Properties
Complexity:
590  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.18g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
369.425g/mol
Monoisotopic Mass:
369.18g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents. Journal of medicinal chemistry 20100722
Attenuation of mechanical hypersensitivity by an antagonist of the TRPA1 ion channel in diabetic animals. Anesthesiology 20090701
Properties