Azidodiltiazem

Base Information

• Chemical Name: Azidodiltiazem
• CAS No.: 124255-99-8
• Molecular Formula: C25H23 N5 O4 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20154256
• Wikidata: Q83021411
• Mol file: 124255-99-8.mol

Synonyms:5-(2-(4-azidobenzoyl)aminoethyl)-2,3,4,5-tetrahydro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepine;azidodiltiazem

Chemical Property of Azidodiltiazem

Chemical Property:

• PSA: 153.92000
• LogP: 4.51656
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 489.14707541
• Heavy Atom Count: 35
• Complexity: 778

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCNC(=O)C4=CC=C(C=C4)N=[N+]=[N-])O
• Isomeric SMILES: COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)N(C3=CC=CC=C3S2)CCNC(=O)C4=CC=C(C=C4)N=[N+]=[N-])O

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