2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL 4-METHYLBENZENESULFONATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H20Cl2N2O5S
Molecular Weight	483.365
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL 4-METHYLBENZENESULFONATE

Structure Search

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C4=CC=C(Cl)C=C4Cl

InChI

InChIKey=WAXNIYHZFWRPGS-UTKZUKDTSA-N

InChI=1S/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H20Cl2N2O5S
Molecular Weight	483.365
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 10:53:08 GMT 2023` Edited by `admin` on `Sat Dec 16 10:53:08 GMT 2023`
Record UNII	644X337Z6T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL 4-METHYLBENZENESULFONATE

Common Name

English

(±)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL 4-METHYLBENZENESULFONATE

Common Name

English

KETOCONAZOLE IMPURITY E [EP IMPURITY]

Common Name

English

1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-, 4-METHYLBENZENESULFONATE (ESTER), (2R,4R)-REL-

Systematic Name

English

1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-, 4-(4-METHYLBENZENESULFONATE), (2R,4R)-REL-

Systematic Name

English

1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-, 4-METHYLBENZENESULFONATE (ESTER), CIS-

Systematic Name

English

Code System Code Type Description

CAS

134071-44-6

Created by admin on Sat Dec 16 10:53:08 GMT 2023 , Edited by admin on Sat Dec 16 10:53:08 GMT 2023

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FDA UNII

644X337Z6T

Created by admin on Sat Dec 16 10:53:08 GMT 2023 , Edited by admin on Sat Dec 16 10:53:08 GMT 2023

PRIMARY

PUBCHEM

10814675

Created by admin on Sat Dec 16 10:53:08 GMT 2023 , Edited by admin on Sat Dec 16 10:53:08 GMT 2023

PRIMARY

EPA CompTox

DTXSID701105119

Created by admin on Sat Dec 16 10:53:08 GMT 2023 , Edited by admin on Sat Dec 16 10:53:08 GMT 2023

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Related Record Type Details


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KETOCONAZOLE

PARENT -> IMPURITY

Qualification:

EP