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Details

Stereochemistry RACEMIC
Molecular Formula C24H28Cl2N4O3
Molecular Weight 491.41
Optical Activity ( + / - )
Defined Stereocenters 2 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-(((2R)-2-(4,6-DICHLOROCYCLOHEXA-2,4-DIEN-1-YL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE

SMILES

ClC1C=C(Cl)C=C[C@@H]1[C@@]3(CN2C=CN=C2)OC[C@H](COC4=CC=C(C=C4)N5CCNCC5)O3

InChI

InChIKey=LVJVPTCFRIHTGD-UBEQRZCFSA-N
InChI=1S/C24H28Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21-23,27H,8-9,11-12,14-16H2/t21-,22?,23?,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H28Cl2N4O3
Molecular Weight 491.41
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 2 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:27:16 UTC 2023
Edited
by admin
on Thu Jul 06 19:27:16 UTC 2023
Record UNII
GJA4GNA6QM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-(((2R)-2-(4,6-DICHLOROCYCLOHEXA-2,4-DIEN-1-YL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
Common Name English
PIPERAZINE, 1-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-4-METHYL-, TRANS-
Systematic Name English
Code System Code Type Description
PUBCHEM
156596531
Created by admin on Thu Jul 06 19:27:16 UTC 2023 , Edited by admin on Thu Jul 06 19:27:16 UTC 2023
PRIMARY
CAS
133345-18-3
Created by admin on Thu Jul 06 19:27:16 UTC 2023 , Edited by admin on Thu Jul 06 19:27:16 UTC 2023
PRIMARY
FDA UNII
GJA4GNA6QM
Created by admin on Thu Jul 06 19:27:16 UTC 2023 , Edited by admin on Thu Jul 06 19:27:16 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