Efinaconazole, (2S,3S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22F2N4O
Molecular Weight	348.3903
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](N1CCC(=C)CC1)[C@@](O)(CN2C=NC=N2)C3=CC=C(F)C=C3F

InChI

InChIKey=NFEZZTICAUWDHU-KSSFIOAISA-N

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-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H22F2N4O
Molecular Weight	348.3903
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:34:03 GMT 2025` Edited by `admin` on `Wed Apr 02 19:34:03 GMT 2025`
Record UNII	Y39X6DMF5W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Efinaconazole, (2S,3S)-

Common Name

English

2S,3S-Efinaconazole

Preferred Name

English

(?S,?S)-?-(2,4-Difluorophenyl)-?-methyl-4-methylene-?-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol

Systematic Name

English

(2S,3S)-2-(2,4-Difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(4H-1,3,4-triazol-4-yl)butan-2-ol

Systematic Name

English

1-Piperidineethanol, ?-(2,4-difluorophenyl)-?-methyl-4-methylene-?-(1H-1,2,4-triazol-1-ylmethyl)-, [S-(R*,R*)]-

Systematic Name

English

1-Piperidineethanol, ?-(2,4-difluorophenyl)-?-methyl-4-methylene-?-(1H-1,2,4-triazol-1-ylmethyl)-, (?S,?S)-

Systematic Name

English

Efinaconazole (2S,3S)-Isomer

Common Name

English

Code System Code Type Description

PUBCHEM

15872413

Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025

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EPA CompTox

DTXSID401111757

Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025

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FDA UNII

Y39X6DMF5W

Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025

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CAS

164650-45-7

Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025

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