Zankiren hydrochloride

Base Information

• Chemical Name: Zankiren hydrochloride
• CAS No.: 138810-64-7
• Molecular Formula: C35H55 N5 O6 S2 . Cl H
• Molecular Weight: 705.9711
• UNII: FB7RZ4HUHJ
• DSSTox Substance ID: DTXSID50160800
• Wikidata: Q27277907
• NCI Thesaurus Code: C95292
• ChEMBL ID: CHEMBL2105775
• Mol file: 138810-64-7.mol

Synonyms:((2S)-3-(4-methylpiperazin-1-yl)sulfonyl-2-(phenylmethyl)propionyl)-N-((1S,2R,3S)-1-cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-L-(3-(thiazol-4-yl)alaninamide;A 72517;A-72517;Abbott 72517;Abbott-72517;zankiren hydrochloride

Chemical Property of Zankiren hydrochloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 195.77000
• Density: 1.27g/cm³
• LogP: 6.26880
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 17
• Exact Mass: 741.3360546
• Heavy Atom Count: 49
• Complexity: 1090

Purity/Quality:

ZANKIREN HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CSC=N2)NC(=O)C(CC3=CC=CC=C3)CS(=O)(=O)N4CCN(CC4)C)O)O.Cl
• Isomeric SMILES: CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CSC=N2)NC(=O)[C@H](CC3=CC=CC=C3)CS(=O)(=O)N4CCN(CC4)C)O)O.Cl
• Uses: Antihypertensive.
• Therapeutic Function: Antihypertensive

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