BUTYL ITRACONAZOLE

Details

Stereochemistry	RACEMIC
Molecular Formula	C35H38Cl2N8O4
Molecular Weight	705.633
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCN1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@@H]5CO[C@](CN6C=NC=N6)(O5)C7=CC=C(Cl)C=C7Cl)C=C4

InChI

InChIKey=MSRHZFCRISNCIN-CYEXUTLASA-N

InChI=1S/C35H38Cl2N8O4/c1-2-3-14-45-34(46)44(25-40-45)29-7-5-27(6-8-29)41-15-17-42(18-16-41)28-9-11-30(12-10-28)47-20-31-21-48-35(49-31,22-43-24-38-23-39-43)32-13-4-26(36)19-33(32)37/h4-13,19,23-25,31H,2-3,14-18,20-22H2,1H3/t31-,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H38Cl2N8O4
Molecular Weight	705.633
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 `Mon Mar 31 20:56:47 GMT 2025` Edited by `admin` on `Mon Mar 31 20:56:47 GMT 2025`
Record UNII	4FSK1699I2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTYL ITRACONAZOLE

Common Name

English

2-BUTYL-4-(4-(4-(4-((CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Preferred Name

English

4-(4-(4-(4-(((2RS,4SR)-2-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-2-BUTYL-2H-1,2,4-TRIAZOL-3(4H)-ONE

Systematic Name

English

BUTYL ITRACONAZOLE, (±)-

Common Name

English

3H-1,2,4-TRIAZOL-3-ONE, 2-BUTYL-4-(4-(4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-1-PIPERAZINYL)PHENYL)-2,4-DIHYDRO-, CIS-

Common Name

English

ITRACONAZOLE IMPURITY F [EP IMPURITY]

Common Name

English

ITRACONAZOLE IMPURITY, N-BUTYL ISOMER- [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

4FSK1699I2

Created by admin on Mon Mar 31 20:56:47 GMT 2025 , Edited by admin on Mon Mar 31 20:56:47 GMT 2025

PRIMARY

CAS

89848-51-1

Created by admin on Mon Mar 31 20:56:47 GMT 2025 , Edited by admin on Mon Mar 31 20:56:47 GMT 2025

PRIMARY

PUBCHEM

56593986

Created by admin on Mon Mar 31 20:56:47 GMT 2025 , Edited by admin on Mon Mar 31 20:56:47 GMT 2025

PRIMARY

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ITRACONAZOLE

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