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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18FN7O
Molecular Weight 367.3809
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of M-0777 M12

SMILES

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

InChI

InChIKey=GRECTROMILPREZ-UHFFFAOYSA-N
InChI=1S/C18H18FN7O/c1-18(2,3)12-8-15-23-24-16(11-6-4-5-7-13(11)19)26(15)25-17(12)27-9-14-20-10-21-22-14/h4-8,10H,9H2,1-3H3,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C18H18FN7O
Molecular Weight 367.3809
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 12:30:58 UTC 2021
Edited
by admin
on Sat Jun 26 12:30:58 UTC 2021
Record UNII
MK9BPI11IH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
M-0777 M12
Common Name English
N-DESETHYL M-0777
Common Name English
1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE, 7-(1,1-DIMETHYLETHYL)-3-(2-FLUOROPHENYL)-6-(1H-1,2,4-TRIAZOL-5-YLMETHOXY)-
Systematic Name English
TPA023 METABOLITE M12
Common Name English
Code System Code Type Description
FDA UNII
MK9BPI11IH
Created by admin on Sat Jun 26 12:30:58 UTC 2021 , Edited by admin on Sat Jun 26 12:30:58 UTC 2021
PRIMARY
CAS
503087-54-5
Created by admin on Sat Jun 26 12:30:58 UTC 2021 , Edited by admin on Sat Jun 26 12:30:58 UTC 2021
PRIMARY
PUBCHEM
9969202
Created by admin on Sat Jun 26 12:30:58 UTC 2021 , Edited by admin on Sat Jun 26 12:30:58 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
URINE