5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate, ((3S,5S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21F2N3O4S
Molecular Weight	449.471
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate, ((3S,5S)-

Structure Search

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CO[C@@](CN3C=NC=N3)(C2)C4=C(F)C=C(F)C=C4

InChI

InChIKey=DFWVLCJRFGIRAK-HRAATJIYSA-N

InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-14-24-13-25-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H21F2N3O4S
Molecular Weight	449.471
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 `Sat Dec 16 19:58:23 GMT 2023` Edited by `admin` on `Sat Dec 16 19:58:23 GMT 2023`
Record UNII	Y2X847EL2H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate, ((3S,5S)-

Systematic Name

English

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol

Systematic Name

English

D-erythro-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Systematic Name

English

Posaconazole Diastereoisomer Related Compound 2

Common Name

English

Code System Code Type Description

FDA UNII

Y2X847EL2H

Created by admin on Sat Dec 16 19:58:23 GMT 2023 , Edited by admin on Sat Dec 16 19:58:23 GMT 2023

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PUBCHEM

15238246

Created by admin on Sat Dec 16 19:58:23 GMT 2023 , Edited by admin on Sat Dec 16 19:58:23 GMT 2023

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CAS

166583-12-6

Created by admin on Sat Dec 16 19:58:23 GMT 2023 , Edited by admin on Sat Dec 16 19:58:23 GMT 2023

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