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Details

Stereochemistry RACEMIC
Molecular Formula C16H12Cl4N2OS.ClH
Molecular Weight 458.617
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-(2,4-DICHLOROPHENYL)-2-((2,5-DICHLOROTHIOPHEN-3-YL)METHOXY)ETHYL)-1H-IMIDAZOLE HYDROCHLORIDE

SMILES

Cl.ClC1=CC(COC(CN2C=CN=C2)C3=CC=C(Cl)C=C3Cl)=C(Cl)S1

InChI

InChIKey=IVTJGYRAWHPZGE-UHFFFAOYSA-N
InChI=1S/C16H12Cl4N2OS.ClH/c17-11-1-2-12(13(18)6-11)14(7-22-4-3-21-9-22)23-8-10-5-15(19)24-16(10)20;/h1-6,9,14H,7-8H2;1H

HIDE SMILES / InChI

Molecular Formula C16H12Cl4N2OS
Molecular Weight 422.156
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:51:32 UTC 2023
Edited
by admin
on Sat Dec 16 18:51:32 UTC 2023
Record UNII
U0DP725EAY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-(2,4-DICHLOROPHENYL)-2-((2,5-DICHLOROTHIOPHEN-3-YL)METHOXY)ETHYL)-1H-IMIDAZOLE HYDROCHLORIDE
Systematic Name English
1-(2,4-DICHLORO-.BETA.-((2,5-DICHLORO-3-THENYL)OXY)PHENETHYL)IMIDAZOLE HYDROCHLORIDE
Systematic Name English
TIOCONAZOLE RELATED COMPOUND B [USP IMPURITY]
Common Name English
TIOCONAZOLE RELATED COMPOUND B [USP-RS]
Common Name English
1H-IMIDAZOLE, 1-(2-(2,4-DICHLOROPHENYL)-2-((2,5-DICHLORO-3-THIENYL)METHOXY)ETHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1667461
Created by admin on Sat Dec 16 18:51:32 UTC 2023 , Edited by admin on Sat Dec 16 18:51:32 UTC 2023
PRIMARY
CAS
61675-62-5
Created by admin on Sat Dec 16 18:51:32 UTC 2023 , Edited by admin on Sat Dec 16 18:51:32 UTC 2023
PRIMARY
PUBCHEM
131632203
Created by admin on Sat Dec 16 18:51:32 UTC 2023 , Edited by admin on Sat Dec 16 18:51:32 UTC 2023
PRIMARY
FDA UNII
U0DP725EAY
Created by admin on Sat Dec 16 18:51:32 UTC 2023 , Edited by admin on Sat Dec 16 18:51:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP