Terfenadine, (S)-

Base Information

• Chemical Name: Terfenadine, (S)-
• CAS No.: 126588-96-3
• Molecular Formula: C32H41 N O2
• UNII: 5LZN78857B
• Pharos Ligand ID: MGQKLGZTGLHM
• ChEMBL ID: CHEMBL432527

Synonyms:Terfenadine, (S)-;Terfenadine, (-)-;(S)-(-)-Terfenadine;5LZN78857B;UNII-5LZN78857B;CHEMBL432527;126588-96-3;1-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-, (S)-;1-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-, (alphaS)-;CAS-50679-08-8;Lopac-T-9652;SCHEMBL5998456;GUGOEEXESWIERI-PMERELPUSA-N;BDBM50421337;NCGC00016064-01;NCGC00016064-02;NCGC00016064-07;NCGC00016859-01;PD070165;(S)-1-(4-(tert-butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol;1-PIPERIDINEBUTANOL, .ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(HYDROXYDIPHENYLMETHYL)-, (.ALPHA.S)-;1-PIPERIDINEBUTANOL, .ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(HYDROXYDIPHENYLMETHYL)-, (S)-

Chemical Property of Terfenadine, (S)-

Chemical Property:

• XLogP3: 6.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 471.313729551
• Heavy Atom Count: 35
• Complexity: 582

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H](CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

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