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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20FN7O3
Molecular Weight 425.4171
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ACETIC ACID, 6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-

SMILES

CCn1c(COc2c(cc3nnc(-c4ccccc4F)n3n2)C(C)(C)C(=O)O)ncn1

InChI

InChIKey=MRXAQYJDRLMCKT-UHFFFAOYSA-N
InChI=1S/C20H20FN7O3/c1-4-27-16(22-11-23-27)10-31-18-13(20(2,3)19(29)30)9-15-24-25-17(28(15)26-18)12-7-5-6-8-14(12)21/h5-9,11H,4,10H2,1-3H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C20H20FN7O3
Molecular Weight 425.4171
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 Jun 26 07:54:56 UTC 2021
Edited
by admin
on Sat Jun 26 07:54:56 UTC 2021
Record UNII
V26KUX597Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ACETIC ACID, 6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ACETIC ACID
Systematic Name English
TPA023 METABOLITE M10
Common Name English
Code System Code Type Description
PUBCHEM
154572877
Created by admin on Sat Jun 26 07:54:56 UTC 2021 , Edited by admin on Sat Jun 26 07:54:56 UTC 2021
PRIMARY
CAS
908140-81-8
Created by admin on Sat Jun 26 07:54:56 UTC 2021 , Edited by admin on Sat Jun 26 07:54:56 UTC 2021
PRIMARY
FDA UNII
V26KUX597Z
Created by admin on Sat Jun 26 07:54:56 UTC 2021 , Edited by admin on Sat Jun 26 07:54:56 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
FECAL