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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 of R-049223

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 Thu Jul 06 16:27:58 UTC 2023
Edited
by admin
on Thu Jul 06 16:27:58 UTC 2023
Record UNII
54OX2F5ST1
Record Status Validated (UNII)
Record Version
  • Download
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 Thu Jul 06 16:27:58 UTC 2023 , Edited by admin on Thu Jul 06 16:27:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID00180179
Created by admin on Thu Jul 06 16:27:58 UTC 2023 , Edited by admin on Thu Jul 06 16:27:58 UTC 2023
PRIMARY
CAS
254912-63-5
Created by admin on Thu Jul 06 16:27:58 UTC 2023 , Edited by admin on Thu Jul 06 16:27:58 UTC 2023
PRIMARY
FDA UNII
54OX2F5ST1
Created by admin on Thu Jul 06 16:27:58 UTC 2023 , Edited by admin on Thu Jul 06 16:27:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
EP