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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18FN7O2
Molecular Weight 383.3803
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-ETHANOL, 3-(2-FLUOROPHENYL)-.BETA.,.BETA.-DIMETHYL-6-(1H-1,2,4-TRIAZOL-5-YLMETHOXY)-

SMILES

CC(C)(CO)c1cc2nnc(-c3ccccc3F)n2nc1OCc4nc[nH]n4

InChI

InChIKey=PDIOQYJOOWDYMV-UHFFFAOYSA-N
InChI=1S/C18H18FN7O2/c1-18(2,9-27)12-7-15-23-24-16(11-5-3-4-6-13(11)19)26(15)25-17(12)28-8-14-20-10-21-22-14/h3-7,10,27H,8-9H2,1-2H3,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C18H18FN7O2
Molecular Weight 383.3803
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 06:02:31 UTC 2021
Edited
by admin
on Sat Jun 26 06:02:31 UTC 2021
Record UNII
XTQ2HC7BIB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ETHANOL, 3-(2-FLUOROPHENYL)-.BETA.,.BETA.-DIMETHYL-6-(1H-1,2,4-TRIAZOL-5-YLMETHOXY)-
Systematic Name English
TPA023 METABOLITE M9
Common Name English
3-(2-FLUOROPHENYL)-.BETA.,.BETA.-DIMETHYL-6-(1H-1,2,4-TRIAZOL-5-YLMETHOXY)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ETHANOL
Systematic Name English
Code System Code Type Description
FDA UNII
XTQ2HC7BIB
Created by admin on Sat Jun 26 06:02:31 UTC 2021 , Edited by admin on Sat Jun 26 06:02:31 UTC 2021
PRIMARY
PUBCHEM
154572848
Created by admin on Sat Jun 26 06:02:31 UTC 2021 , Edited by admin on Sat Jun 26 06:02:31 UTC 2021
PRIMARY
CAS
908140-78-3
Created by admin on Sat Jun 26 06:02:31 UTC 2021 , Edited by admin on Sat Jun 26 06:02:31 UTC 2021
PRIMARY
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