Ebastine fumarate

Base Information

• Chemical Name: Ebastine fumarate
• CAS No.: 97928-20-6
• Molecular Formula: C36H43NO6
• Molecular Weight: 585.73
• European Community (EC) Number: 619-301-9
• DSSTox Substance ID: DTXSID501335869
• Mol file: 97928-20-6.mol

Synonyms:EBASTINE FUMARATE;97928-20-6;4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one;(E)-but-2-enedioic acid;1-Butanone, 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-, (2E)-2-butenedioate (1:1);SCHEMBL2475732;SCHEMBL2475734;DTXSID501335869;BCP12948

Chemical Property of Ebastine fumarate

Chemical Property:

• PSA: 104.14000
• LogP: 6.86730
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 585.30903809
• Heavy Atom Count: 43
• Complexity: 713

Purity/Quality:

99.9% ^*data from raw suppliers

EBASTINE FUMARATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

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