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Details

Stereochemistry RACEMIC
Molecular Formula C20H19Cl2N3O3
Molecular Weight 420.289
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(((2R)-2-(2,4-DICHLOROPHENYL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)ANILINE

SMILES

NC1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C4=C(Cl)C=C(Cl)C=C4)C=C1

InChI

InChIKey=JJAHMLRQDQLJJE-PXNSSMCTSA-N
InChI=1S/C20H19Cl2N3O3/c21-14-1-6-18(19(22)9-14)20(12-25-8-7-24-13-25)27-11-17(28-20)10-26-16-4-2-15(23)3-5-16/h1-9,13,17H,10-12,23H2/t17-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H19Cl2N3O3
Molecular Weight 420.289
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 19:27:17 UTC 2023
Edited
by admin
on Thu Jul 06 19:27:17 UTC 2023
Record UNII
B2LSF85ZYF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(((2R)-2-(2,4-DICHLOROPHENYL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)ANILINE
Common Name English
BENZENAMINE, 4-(((2R,4S)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)-, REL-
Systematic Name English
REL-4-(((2R,4S)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)BENZENAMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
13019744
Created by admin on Thu Jul 06 19:27:17 UTC 2023 , Edited by admin on Thu Jul 06 19:27:17 UTC 2023
PRIMARY
FDA UNII
B2LSF85ZYF
Created by admin on Thu Jul 06 19:27:17 UTC 2023 , Edited by admin on Thu Jul 06 19:27:17 UTC 2023
PRIMARY
CAS
67914-45-8
Created by admin on Thu Jul 06 19:27:17 UTC 2023 , Edited by admin on Thu Jul 06 19:27:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Evidence that CYP3A4 plays a significant role in metabolism of ketoconazole is that co-administration of CYP3A4 inducers, such as phenytoin, carbamazepine, and rifampin, can cause as much as a 50% reduction in levels of ketoconazole.
MAY BE CLINICALLY SIGNIFICANT