Denibulin hydrochloride

Base Information

• Chemical Name: Denibulin hydrochloride
• CAS No.: 779356-64-8
• Molecular Formula: C18H19N5O3S.ClH
• Molecular Weight: 385.44000
• UNII: 0U575HR16Q
• ChEMBL ID: CHEMBL2107329
• DSSTox Substance ID: DTXSID20228587
• NCI Thesaurus Code: C72736
• Wikidata: Q27237255
• Mol file: 779356-64-8.mol

Synonyms:denibulin;MN-029

Chemical Property of Denibulin hydrochloride

Chemical Property:

• PSA: 150.92000
• LogP: 3.96500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 421.0975384
• Heavy Atom Count: 28
• Complexity: 529

Purity/Quality:

99% ^*data from raw suppliers

Denibulin(MN-029) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)N.Cl
• Isomeric SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)N.Cl