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164650-44-6 | 1-Piperidineethanol, α-(2,4-difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βR)-
CAS No: 164650-44-6 Catalog No: AG001V0H MDL No:MFCD00936406
Product Description
Catalog Number:
AG001V0H
Chemical Name:
1-Piperidineethanol, α-(2,4-difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βR)-
CAS Number:
164650-44-6
Molecular Formula:
C18H22F2N4O
Molecular Weight:
348.3903
MDL Number:
MFCD00936406
IUPAC Name:
(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChI:
InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1
InChI Key:
NFEZZTICAUWDHU-RDTXWAMCSA-N
SMILES:
C=C1CCN(CC1)[C@@H]([C@@](c1ccc(cc1F)F)(Cn1cncn1)O)C
UNII:
J82SB7FXWB
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
348.176g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.398g/mol
Monoisotopic Mass:
348.176g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Efinaconazole: first global approval. | Drugs 20131101 |
| Mechanism of action of efinaconazole, a novel triazole antifungal agent. | Antimicrobial agents and chemotherapy 20130501 |
| KP-103, a novel triazole derivative, is effective in preventing relapse and successfully treating experimental interdigital tinea pedis and tinea corporis in guinea pigs. | Microbiology and immunology 20020101 |
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