CID 5745795

Base Information

• Chemical Name: CID 5745795
• CAS No.: 108391-88-4
• Molecular Formula: C20H34 N2 O5
• Molecular Weight: 382.498
• DSSTox Substance ID: DTXSID80148530
• Wikidata: Q76311125
• ChEMBL ID: CHEMBL2105388
• Mol file: 108391-88-4.mol

Synonyms:SCHEMBL1816333;CHEMBL2105388;DTXSID80148530

Chemical Property of CID 5745795

Chemical Property:

• PSA: 95.94000
• LogP: 2.65950
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 382.24677219
• Heavy Atom Count: 27
• Complexity: 539

Purity/Quality:

99% ^*data from raw suppliers

ORBUTOPRIL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)OCC
• Isomeric SMILES: CCCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)OCC