AG001V0H

164650-44-6 | 1-Piperidineethanol, α-(2,4-difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βR)-

AG001V0H

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CAS Number	164650-44-6
Catalog Number	AG001V0H(AGN-PC-0Q8MUR)
Chemical Name	1-Piperidineethanol, α-(2,4-difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βR)-
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
MDL Number	MFCD00936406
Molecular Formula	C18H22F2N4O
Molecular Weight	348.3903
SMILES	FC1=C(C=CC(=C1)F)[C@@]([C@H](N1CCC(CC1)=C)C)(O)CN1N=CN=C1
UNII	J82SB7FXWB
Synonyms	efinaconazole, Jublia, KP 103, KP-103, KP103, EFINACONAZOLE, 164650-44-6, KP-103, JUBLIA, (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, UNII-J82SB7FXWB, J82SB7FXWB, CHEBI:82718, KP103, 164905-19-5, (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol, Efinaconazole [USAN:INN], efinaconazol, efinaconazolum, Clenafin (TN), AK315814, Jublia (TN), Efinaconazole(KP-103), Efinaconazole; KP-103, AC1LAJ21, SCHEMBL300738, ZINC6251, CHEMBL2103877, Efinaconazole (JAN/USAN/INN), C18H22F2N4O, CTK5J2975, HSDB 8341, KS-00000SEK, DTXSID40167787, NFEZZTICAUWDHU-RDTXWAMCSA-N, BCP11665, EX-A2643, 2856AH, MFCD00936407, AKOS027323571, CS-3500, DB09040, NCGC00390702-01, (2R,3R)-2-(2,4-Difluorofenil)-3-(4-metilenopiperidin-1-il)-1-(1H-1,2,4-triazin-1-il)butan-2-ol, AS-30126, HY-15660, D10021, (2R, 3R)-2-(2,4-Difluorophenyl)-3-(4-methylenepiperidyl)-1-(1,2,4-triazolyl)butan-2-ol, (2R,3R)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol, (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidyl)-1-(1,2,4-triazol-1-yl)butan-2-ol, (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)butane-2-ol, (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidino)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, (2r,3r)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol, 1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1- ylmethyl)-, (alphaR,betaR)-, 1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaR)-, Efinaconazole [INN], KP-103;Efinaconazole, D0G4BI, Kp 103, IDP-108, CID489181, ACN-048276,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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