Zelandopam

Base Information

• Chemical Name: Zelandopam
• CAS No.: 139233-53-7
• Molecular Formula: C15H16ClNO4
• Molecular Weight: 309.7448
• UNII: IR6XYD8SAX
• Nikkaji Number: J505.783C
• Wikidata: Q27280859
• NCI Thesaurus Code: C66688
• ChEMBL ID: CHEMBL2105532

Synonyms:(-)-(S)-4-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline;7,8-DDPTI;7,8-dihydroxy-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline;YM 435;YM-435;YM435;zelandopam

Chemical Property of Zelandopam

Chemical Property:

• Vapor Pressure: 2.88E-12mmHg at 25°C
• Boiling Point: 539.8°C at 760 mmHg
• Flash Point: 229.8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 273.10010796
• Heavy Atom Count: 20
• Complexity: 340

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1C(C2=C(CN1)C(=C(C=C2)O)O)C3=CC(=C(C=C3)O)O
• Isomeric SMILES: C1[C@H](C2=C(CN1)C(=C(C=C2)O)O)C3=CC(=C(C=C3)O)O

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