R-049223

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H26Cl2N4O4
Molecular Weight	529.415
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)N1CCN(C=C1)C2=CC=C(OC[C@H]3CO[C@@](CN4C=CN=C4)(O3)C5=CC=C(Cl)C=C5Cl)C=C2

InChI

InChIKey=GHVFISLXKPKRQU-OZXSUGGESA-N

InChI=1S/C26H26Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-10,12,14,18,23H,11,13,15-17H2,1H3/t23-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H26Cl2N4O4
Molecular Weight	529.415
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 10:53:07 UTC 2023` Edited by `admin` on `Sat Dec 16 10:53:07 UTC 2023`
Record UNII	54OX2F5ST1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

R-049223

Common Name

English

KETOCONAZOLE IMPURITY A [EP IMPURITY]

Common Name

English

ETHANONE, 1-(4-(4-(((2R,4S)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-3,4-DIHYDRO-1(2H)-PYRAZINYL)-, REL-

Systematic Name

English

1-ACETYL-4-(4-(((2RS,4SR)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)1,2,3,4-TETRAHYDROPYRAZINE

Systematic Name

English

2,3-DEHYDRO KETOCONAZOLE

Common Name

English

(±)-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)1,2,3,4-TETRAHYDROPYRAZINE

Systematic Name

English

Code System Code Type Description

PUBCHEM

71315319

Created by admin on Sat Dec 16 10:53:07 UTC 2023 , Edited by admin on Sat Dec 16 10:53:07 UTC 2023

PRIMARY

EPA CompTox

DTXSID00180179

Created by admin on Sat Dec 16 10:53:07 UTC 2023 , Edited by admin on Sat Dec 16 10:53:07 UTC 2023

PRIMARY

CAS

254912-63-5

Created by admin on Sat Dec 16 10:53:07 UTC 2023 , Edited by admin on Sat Dec 16 10:53:07 UTC 2023

PRIMARY

FDA UNII

54OX2F5ST1

Created by admin on Sat Dec 16 10:53:07 UTC 2023 , Edited by admin on Sat Dec 16 10:53:07 UTC 2023

PRIMARY

Related Record Type Details


					R9400W927I

KETOCONAZOLE

PARENT -> IMPURITY

Qualification:

EP