Atidine

Base Information

• Chemical Name: Atidine
• CAS No.: 467-91-4
• Molecular Formula: C22H33NO3
• Molecular Weight: 359.50232
• ChEMBL ID: CHEMBL4065019
• DSSTox Substance ID: DTXSID101019908
• Nikkaji Number: J39.322C
• Wikidata: Q104402366
• Mol file: 467-91-4.mol

Synonyms:Atidine;CHEMBL4065019;467-91-4;DTXSID101019908;BDBM50242320

Chemical Property of Atidine

Chemical Property:

• PSA: 60.77000
• LogP: 2.33120
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 359.24604391
• Heavy Atom Count: 26
• Complexity: 662

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCC3(C1CC(=O)C45C3CC(CC4)C(=C)C5O)CN(C2)CCO
• Isomeric SMILES: C[C@@]12CCC[C@@]3([C@@H]1CC(=O)[C@]45[C@H]3C[C@H](CC4)C(=C)[C@H]5O)CN(C2)CCO