Hydroxyclemastine

Base Information

• Chemical Name: Hydroxyclemastine
• CAS No.: 14976-57-9
• Molecular Formula: C₄H₄O₄*C₂₁H₂₆ClNO
• Molecular Weight: 459.97
• Hs Code.: 2933992600
• Mol file: 14976-57-9.mol

Synonyms:Hydroxyclemastine;D06QQS

Chemical Property of Hydroxyclemastine

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 1.94E-07mmHg at 25°C
• Melting Point: 177-179 °C
• Refractive Index: 1.553
• Boiling Point: 425.2 °C at 760 mmHg
• Flash Point: 211 °C
• PSA: 87.07000
• Density: 1.097 g/cm3
• LogP: 4.75410
• Storage Temp.: Store at RT
• Solubility.: DMSO: soluble5mg/mL (clear solution; warmed)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 459.1812508
• Heavy Atom Count: 32
• Complexity: 506

Purity/Quality:

99.9% ^*data from raw suppliers

Clemastine fumarate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCC[NH+]3C.C(=CC(=O)[O-])C(=O)O
• Isomeric SMILES: C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCC[NH+]3C.C(=C/C(=O)[O-])\C(=O)O
• Uses: H1 Histamine receptor antagonist. Antihistaminic. anti-inflammatory Clemastine fumarate is a selective histamine H1 receptor antagonist (Ki = 0.26 nM) that also displays high affinity for muscarinic receptors (Ki = 16 nM). It has also recently been identified as a positive allosteric modulator of P2X7 receptor signaling. Clemastine fumarate has long been used to inhibit histamine-induced bronchoconstriction in asthma and airway hyperresponsive studies.
• Therapeutic Function: Antihistaminic