PROPYL 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

CCCN1N=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=JAKXPLQZZCVGBG-KAODMTDESA-N

InChI=1S/C34H36Cl2N8O4/c1-2-13-44-33(45)43(24-39-44)28-6-4-26(5-7-28)40-14-16-41(17-15-40)27-8-10-29(11-9-27)46-19-30-20-47-34(48-30,21-42-23-37-22-38-42)31-12-3-25(35)18-32(31)36/h3-12,18,22-24,30H,2,13-17,19-21H2,1H3/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 21:04:35 GMT 2025` Edited by `admin` on `Mon Mar 31 21:04:35 GMT 2025`
Record UNII	ZW54NFM2IC
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-PROPYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Preferred Name

English

PROPYL ITRACONAZOLE

Common Name

English

PROPYL 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-PROPYL-, CIS-(±)-

Systematic Name

English

3H-1,2,4-TRIAZOL-3-ONE, 4-(4-(4-(4-(((2R,4S)-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-PROPYL-, REL-

Systematic 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-PROPYL-2H-1,2,4-TRIAZOL-3(4H)-ONE

Systematic Name

English

ITRACONAZOLE IMPURITY, PROPYL ANALOG- [USP IMPURITY]

Common Name

English

ITRACONAZOLE IMPURITY C [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

45481857

Created by admin on Mon Mar 31 21:04:35 GMT 2025 , Edited by admin on Mon Mar 31 21:04:35 GMT 2025

PRIMARY

EPA CompTox

DTXSID30512146

Created by admin on Mon Mar 31 21:04:35 GMT 2025 , Edited by admin on Mon Mar 31 21:04:35 GMT 2025

PRIMARY

FDA UNII

ZW54NFM2IC

Created by admin on Mon Mar 31 21:04:35 GMT 2025 , Edited by admin on Mon Mar 31 21:04:35 GMT 2025

PRIMARY

CAS

74855-91-7

Created by admin on Mon Mar 31 21:04:35 GMT 2025 , Edited by admin on Mon Mar 31 21:04:35 GMT 2025

PRIMARY

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ITRACONAZOLE

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