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Home Halogens N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide

N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide

CAS No.:
345304-65-6
Catalog Number:
AG003920
Molecular Formula:
C24H35ClN2O2
Molecular Weight:
418.9999
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$375
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Product Description
Catalog Number:
AG003920
Chemical Name:
N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide
CAS Number:
345304-65-6
Molecular Formula:
C24H35ClN2O2
Molecular Weight:
418.9999
MDL Number:
MFCD30533694
IUPAC Name:
N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide
InChI:
InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)
InChI Key:
HSQAARMBHJCUOK-UHFFFAOYSA-N
SMILES:
OCCCNCCCc1ccc(c(c1)C(=O)NCC12CC3CC(C2)CC(C1)C3)Cl
UNII:
F13K378W4L
Properties
Complexity:
514  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.239g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
419.006g/mol
Monoisotopic Mass:
418.239g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Potential for developing purinergic drugs for gastrointestinal diseases. Inflammatory bowel diseases 20140701
Targeting the P2X7 receptor in rheumatoid arthritis: biological rationale for P2X7 antagonism. Clinical and experimental rheumatology 20140101
Properties