Deptropine citrate

Base Information

• Chemical Name: Deptropine citrate
• CAS No.: 2169-75-7
• Deprecated CAS: 8055-22-9
• Molecular Formula: C23H27NO•C6H8O7
• Molecular Weight: 525.65
• European Community (EC) Number: 218-516-1
• UNII: 05LW13XKKR
• DSSTox Substance ID: DTXSID4045557
• Wikidata: Q27121973
• ChEMBL ID: CHEMBL2107603,CHEMBL1475191
• Mol file: 2169-75-7.mol

Synonyms:BS 6987;BS-6987;deptropine;deptropine citrate;Deptropine FNA;dibenzheptropine;dibenzheptropine citrate;Tropane, 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-, citrate (1:1)

Chemical Property of Deptropine citrate

Chemical Property:

• Boiling Point: 446.3°Cat760mmHg
• Flash Point: 130.4°C
• Density: 1.15g/cm³
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 525.23626707
• Heavy Atom Count: 38
• Complexity: 654

Purity/Quality:

99% ^*data from raw suppliers

Deptropine citrate European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Uses: Histamine H1 receptor antagonist; anticholinergic.

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