CID 11575823

Base Information

• Chemical Name: CID 11575823
• CAS No.: 878489-28-2
• Molecular Formula: C21H29ClN2O4S
• Molecular Weight: 440.98
• DSSTox Substance ID: DTXSID10468834
• Nikkaji Number: J3.595.235G
• Wikidata: Q82296276
• Mol file: 878489-28-2.mol

Synonyms:878489-28-2;JNJ 303;rel-2-(4-Chlorophenoxy)-2-methyl-N-((1S,2R)-5-(methylsulfonamido)adamantan-2-yl)propanamide;2-(4-Chlorophenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide;DTXSID10468834;AKOS037649271;BS-17730;D81230

Chemical Property of CID 11575823

Chemical Property:

• PSA: 96.37000
• LogP: 5.42210
• Storage Temp.: Store at +4°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 440.1536563
• Heavy Atom Count: 29
• Complexity: 726

Purity/Quality:

98%Min ^*data from raw suppliers

JNJ 303 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)NS(=O)(=O)C)OC4=CC=C(C=C4)Cl
• Isomeric SMILES: CC(C)(C(=O)NC1[C@@H]2CC3C[C@H]1CC(C2)(C3)NS(=O)(=O)C)OC4=CC=C(C=C4)Cl
• Uses: JNJ 303 is an 11-beta hydroxysteroid dehydrogenase (11β-HSD1) inhibitor.

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