U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H13ClF8N6O
Molecular Weight 552.808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIGOLANER

SMILES

CN1N=C(C(=C1N2C=C(C=N2)C3=CC(C(=O)NC4(CC4)C#N)=C(Cl)C=C3)C(F)(F)F)C(F)(F)C(F)(F)F

InChI

InChIKey=TVAJZOVLQZNNCJ-UHFFFAOYSA-N
InChI=1S/C21H13ClF8N6O/c1-35-17(14(20(25,26)27)15(34-35)19(23,24)21(28,29)30)36-8-11(7-32-36)10-2-3-13(22)12(6-10)16(37)33-18(9-31)4-5-18/h2-3,6-8H,4-5H2,1H3,(H,33,37)

HIDE SMILES / InChI

Molecular Formula C21H13ClF8N6O
Molecular Weight 552.808
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 13:54:29 UTC 2023
Edited
by admin
on Sat Dec 16 13:54:29 UTC 2023
Record UNII
LP1W2I9SLD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIGOLANER
INN   USAN  
Official Name English
BAH001600
Code English
2-CHLORO-N-(1-CYANOCYCLOPROPYL)-5-(2'-METHYL-5'-(PENTAFLUOROETHYL)-4'-(TRIFLUOROMETHYL)-2'H-(1,3'-BIPYRAZOL)-4-YL)BENZAMIDE
Systematic Name English
MAUE-6228
Code English
2-CHLORO-N-(1-CYANOCYCLOPROPYL)-5-(1'-METHYL-3'-(1,1,2,2,2-PENTAFLUOROETHYL)-4'-(TRIFLUOROMETHYL)(1,5'-BI-1H-PYRAZOL)-4-YL)BENZAMIDE
Systematic Name English
tigolaner [INN]
Common Name English
BAY 1272858
Code English
BAY-1272858
Code English
TIGOLANER [USAN]
Common Name English
MAUE6228
Code English
BCS-CW88522
Code English
BAH-001600
Code English
BENZAMIDE, 2-CHLORO-N-(1-CYANOCYCLOPROPYL)-5-(1'-METHYL-3'-(1,1,2,2,2-PENTAFLUOROETHYL)-4'-(TRIFLUOROMETHYL)(1,5'-BI-1H-PYRAZOL)-4-YL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C276
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
Code System Code Type Description
CAS
1621436-41-6
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
PRIMARY
ALANWOOD
tigolaner
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
PRIMARY
SMS_ID
300000023675
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
PRIMARY
INN
10649
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID101022872
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
PRIMARY
PUBCHEM
77847513
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
PRIMARY
FDA UNII
LP1W2I9SLD
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
PRIMARY
USAN
GH-12
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
PRIMARY
NCI_THESAURUS
C152624
Created by admin on Sat Dec 16 13:54:29 UTC 2023 , Edited by admin on Sat Dec 16 13:54:29 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Related Record Type Details
ACTIVE MOIETY