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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 of ISOPROPYL ITRACONAZOLE

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 Sat Dec 16 01:39:28 GMT 2023
Edited
by admin
on Sat Dec 16 01:39:28 GMT 2023
Record UNII
G401M43GWQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
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
Common 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 Sat Dec 16 01:39:28 GMT 2023 , Edited by admin on Sat Dec 16 01:39:28 GMT 2023
PRIMARY
CAS
89848-49-7
Created by admin on Sat Dec 16 01:39:28 GMT 2023 , Edited by admin on Sat Dec 16 01:39:28 GMT 2023
PRIMARY
PUBCHEM
56593985
Created by admin on Sat Dec 16 01:39:28 GMT 2023 , Edited by admin on Sat Dec 16 01:39:28 GMT 2023
PRIMARY
Related Record Type Details
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CHROMATOGRAPHIC PURITY (HPLC/UV)
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