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Details

Stereochemistry RACEMIC
Molecular Formula 2C17H13ClN4.3C4H4O4
Molecular Weight 965.746
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of LIAROZOLE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.ClC1=CC=CC(=C1)C(N2C=CN=C2)C3=CC=C4N=CNC4=C3.ClC5=CC=CC(=C5)C(N6C=CN=C6)C7=CC=C8N=CNC8=C7

InChI

InChIKey=IDTXURCCJVODEQ-VQYXCCSOSA-N
InChI=1S/2C17H13ClN4.3C4H4O4/c2*18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15;3*5-3(6)1-2-4(7)8/h2*1-11,17H,(H,20,21);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C17H13ClN4
Molecular Weight 308.765
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:45:09 UTC 2023
Edited
by admin
on Fri Dec 15 15:45:09 UTC 2023
Record UNII
91W7VLK7J3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LIAROZOLE FUMARATE
MART.   MI   USAN   WHO-DD  
USAN  
Official Name English
LIAROZOLE FUMARATE [MI]
Common Name English
LIAROZOLE FUMARATE [MART.]
Common Name English
R-85246
Code English
1H-BENZIMIDAZOLE, 5-((3-CHLOROPHENYL)-1H-IMIDAZOL-1-YLMETHYL)-, (±)-, (E)-2-BUTENEDIOATE (2:3)
Common Name English
Liarozole fumarate [WHO-DD]
Common Name English
LIAZAL
Brand Name English
R 85246
Code English
(±)-5-(M-CHLORO-.ALPHA.-IMIDAZOL-1-YLBENZYL)BENZIMIDAZOLE FUMARATE (2:3)
Common Name English
LIAROZOLE FUMARATE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2018
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C1524
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
EVMPD
SUB130508
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
PUBCHEM
11983193
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
MERCK INDEX
m6798
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY Merck Index
SMS_ID
100000156524
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
ChEMBL
CHEMBL389433
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
CAS
145858-52-2
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
USAN
FF-47
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
FDA UNII
91W7VLK7J3
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY