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Details

Stereochemistry RACEMIC
Molecular Formula C24H22Cl2N4O5
Molecular Weight 517.361
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-2,3-PIPERAZINEDIONE, CIS-

SMILES

ClC1=CC(Cl)=C(C=C1)[C@@]3(CN2C=CN=C2)OC[C@H](COC4=CC=C(C=C4)N5CCNC(=O)C5=O)O3

InChI

InChIKey=HQSHCFXABCJJOF-CYFREDJKSA-N
InChI=1S/C24H22Cl2N4O5/c25-16-1-6-20(21(26)11-16)24(14-29-9-7-27-15-29)34-13-19(35-24)12-33-18-4-2-17(3-5-18)30-10-8-28-22(31)23(30)32/h1-7,9,11,15,19H,8,10,12-14H2,(H,28,31)/t19-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H22Cl2N4O5
Molecular Weight 517.361
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 19:16:23 UTC 2023
Edited
by admin
on Thu Jul 06 19:16:23 UTC 2023
Record UNII
ZF74VO947S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-2,3-PIPERAZINEDIONE, CIS-
Systematic Name English
2,3-PIPERAZINEDIONE, 1-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-, CIS-
Systematic Name English
Code System Code Type Description
FDA UNII
ZF74VO947S
Created by admin on Thu Jul 06 19:16:24 UTC 2023 , Edited by admin on Thu Jul 06 19:16:24 UTC 2023
PRIMARY
PUBCHEM
101671865
Created by admin on Thu Jul 06 19:16:24 UTC 2023 , Edited by admin on Thu Jul 06 19:16:24 UTC 2023
PRIMARY
CAS
159898-58-5
Created by admin on Thu Jul 06 19:16:24 UTC 2023 , Edited by admin on Thu Jul 06 19:16:24 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