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Details

Stereochemistry RACEMIC
Molecular Formula C23H29N5O2
Molecular Weight 407.5087
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-SEC-BUTYL-4-(4-(4-(4-METHOXYPHENYL)PIPERAZIN-1-YL)PHENYL)-2H-1,2,4-TRIAZOL-3(4H)-ONE

SMILES

CCC(C)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC)C=C4

InChI

InChIKey=IVIVGYTUQVJVPF-UHFFFAOYSA-N
InChI=1S/C23H29N5O2/c1-4-18(2)28-23(29)27(17-24-28)21-7-5-19(6-8-21)25-13-15-26(16-14-25)20-9-11-22(30-3)12-10-20/h5-12,17-18H,4,13-16H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C23H29N5O2
Molecular Weight 407.5087
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:14 GMT 2023
Edited
by admin
on Sat Dec 16 08:25:14 GMT 2023
Record UNII
148K9U451A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-SEC-BUTYL-4-(4-(4-(4-METHOXYPHENYL)PIPERAZIN-1-YL)PHENYL)-2H-1,2,4-TRIAZOL-3(4H)-ONE
Systematic Name English
3H-1,2,4-TRIAZOL-3-ONE, 2,4-DIHYDRO-4-(4-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)PHENYL)-2-(1-METHYLPROPYL)-
Systematic Name English
4-(4-(4-(4-METHOXYPHENYL)PIPERAZIN-1-YL)PHENYL)-2-((1RS)-1-METHYLPROPYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Systematic Name English
2-SEC-BUTYL-4-(4-(4-(4-METHOXYPHENYL)PIPERAZIN-1-YL)PHENYL)-2H-1,2,4-TRIAZOL-3(4H)-ONE, (RS)-
Systematic Name English
ITRACONAZOLE IMPURITY, 4-METHOXY DERIVATIVE- [USP IMPURITY]
Common Name English
ITRACONAZOLE IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
4445082
Created by admin on Sat Dec 16 08:25:14 GMT 2023 , Edited by admin on Sat Dec 16 08:25:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID501021088
Created by admin on Sat Dec 16 08:25:14 GMT 2023 , Edited by admin on Sat Dec 16 08:25:14 GMT 2023
PRIMARY
CAS
252964-68-4
Created by admin on Sat Dec 16 08:25:14 GMT 2023 , Edited by admin on Sat Dec 16 08:25:14 GMT 2023
PRIMARY
FDA UNII
148K9U451A
Created by admin on Sat Dec 16 08:25:14 GMT 2023 , Edited by admin on Sat Dec 16 08:25:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP