2-SEC-BUTYL-4-(4-(4-(4-METHOXYPHENYL)PIPERAZIN-1-YL)PHENYL)-2H-1,2,4-TRIAZOL-3(4H)-ONE

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

Structure Search

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:25:14 UTC 2023` Edited by `admin` on `Sat Dec 16 08:25:14 UTC 2023`
Record UNII	148K9U451A
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 08:25:14 UTC 2023

PRIMARY

EPA CompTox

DTXSID501021088

Created by admin on Sat Dec 16 08:25:14 UTC 2023 , Edited by admin on Sat Dec 16 08:25:14 UTC 2023

PRIMARY

CAS

252964-68-4

Created by admin on Sat Dec 16 08:25:14 UTC 2023 , Edited by admin on Sat Dec 16 08:25:14 UTC 2023

PRIMARY

FDA UNII

148K9U451A

Created by admin on Sat Dec 16 08:25:14 UTC 2023 , Edited by admin on Sat Dec 16 08:25:14 UTC 2023

PRIMARY

Related Record Type Details


					304NUG5GF4

ITRACONAZOLE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: