1-ACETYL-4-(4-(((2RS,4SR)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)-3-(4-(4-ACETYLPIPERAZIN-1-YL)PHENOXY)PHENYL)PIPERAZINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C38H42Cl2N6O6
Molecular Weight	749.683
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-ACETYL-4-(4-(((2RS,4SR)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)-3-(4-(4-ACETYLPIPERAZIN-1-YL)PHENOXY)PHENYL)PIPERAZINE

Structure Search

SMILES

CC(=O)N1CCN(CC1)C2=CC=C(OC3=CC(=CC=C3OC[C@@H]4CO[C@](CN5C=CN=C5)(O4)C6=CC=C(Cl)C=C6Cl)N7CCN(CC7)C(C)=O)C=C2

InChI

InChIKey=VMDQNVDMNGLNOT-VRLMBGIESA-N

InChI=1S/C38H42Cl2N6O6/c1-27(47)43-13-17-45(18-14-43)30-4-7-32(8-5-30)51-37-22-31(46-19-15-44(16-20-46)28(2)48)6-10-36(37)49-23-33-24-50-38(52-33,25-42-12-11-41-26-42)34-9-3-29(39)21-35(34)40/h3-12,21-22,26,33H,13-20,23-25H2,1-2H3/t33-,38-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1-ACETYL-4-(4-(((2RS,4SR)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)-3-(4-(4-ACETYLPIPERAZIN-1-YL)PHENOXY)PHENYL)PIPERAZINE

Common Name

English

KETOCONAZOLE IMPURITY B [EP IMPURITY]

Common Name

English

(±)-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)-3-(4-(4-ACETYLPIPERAZIN-1-YL)PHENOXY)PHENYL)PIPERAZINE

Common Name

English

Code System Code Type Description

PUBCHEM

71587983

Created by admin on Sat Dec 16 09:59:47 GMT 2023 , Edited by admin on Sat Dec 16 09:59:47 GMT 2023

PRIMARY

CAS

1346598-39-7

Created by admin on Sat Dec 16 09:59:47 GMT 2023 , Edited by admin on Sat Dec 16 09:59:47 GMT 2023

PRIMARY

FDA UNII

Q66P97422F

Created by admin on Sat Dec 16 09:59:47 GMT 2023 , Edited by admin on Sat Dec 16 09:59:47 GMT 2023

PRIMARY

SUBSTANCE RECORD


					Q66P97422F

1-ACETYL-4-(4-(((2RS,4SR)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)-3-(4-(4-ACETYLPIPERAZIN-1-YL)PHENOXY)PHENYL)PIPERAZINE