Darenzepine

Base Information

• Chemical Name: Darenzepine
• CAS No.: 84629-61-8
• Deprecated CAS: 90274-22-9
• Molecular Formula: C21H21 N3 O2
• Molecular Weight: 347.41
• UNII: 4SDY4L68FP
• DSSTox Substance ID: DTXSID40904614
• Wikidata: Q27260429
• NCI Thesaurus Code: C76482
• ChEMBL ID: CHEMBL2106144
• Mol file: 84629-61-8.mol

Synonyms:Darenzepine;84629-61-8;Darenzepine [INN];Darenzepinum;UNII-4SDY4L68FP;4SDY4L68FP;(E)-11-(2-(4-Methyl-1-piperazinyl)-2-oxoethyliden)-11H-dibenzo(b,e)azepin-5(6H)-on;(E)-1-((5,6-Dihydro-6-oxo-11-morphanthridinylidene)acetyl)-4-methylpiperazine;90274-22-9;SCHEMBL996265;CHEMBL2106144;DTXSID40904614;AKOS040732924;HY-100154;CS-0018142;Q27260429;(E)-11-(2-(4-methylpiperazin-1-yl)-2-oxoethylidene)-5,11-dihydro-6H-dibenzo[b,e]azepin-6-one

Chemical Property of Darenzepine

Chemical Property:

• PSA: 56.41000
• LogP: 1.39270
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 347.16337692
• Heavy Atom Count: 26
• Complexity: 580

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=O)C=C2C3=CC=CC=C3C(=O)NC4=CC=CC=C42
• Isomeric SMILES: CN1CCN(CC1)C(=O)/C=C/2\C3=CC=CC=C3C(=O)NC4=CC=CC=C42

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