ISOPROPYL ITRACONAZOLE

Details

Stereochemistry	RACEMIC
Molecular Formula	C34H36Cl2N8O4
Molecular Weight	691.607
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)N1N=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=YPJNBOZLRNFTJN-KAODMTDESA-N

InChI=1S/C34H36Cl2N8O4/c1-24(2)44-33(45)43(23-39-44)28-6-4-26(5-7-28)40-13-15-41(16-14-40)27-8-10-29(11-9-27)46-18-30-19-47-34(48-30,20-42-22-37-21-38-42)31-12-3-25(35)17-32(31)36/h3-12,17,21-24,30H,13-16,18-20H2,1-2H3/t30-,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H36Cl2N8O4
Molecular Weight	691.607
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	G401M43GWQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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-(1-METHYLETHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Preferred Name

English

ISOPROPYL ITRACONAZOLE

Common Name

English

ITRACONAZOLE IMPURITY D [EP IMPURITY]

Common 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-ISOPROPYL-2H-1,2,4-TRIAZOL-3(4H)-ONE

Systematic Name

English

ITRACONAZOLE IMPURITY, ISOPROPYL ANALOG- [USP IMPURITY]

Common Name

English

ISOPROPYL ITRACONAZOLE, (±)-

Common Name

English

3H-1,2,4-TRIAZOL-3-ONE, 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-2-(1-METHYLETHYL)-, CIS-

Systematic Name

English

Code System Code Type Description

FDA UNII

G401M43GWQ

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

89848-49-7

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

56593985

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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