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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8N4O
Molecular Weight 200.1971
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYMETHYL-S-TRIAZOLO(3,4-A)PHTHALAZINE

SMILES

c1ccc2c(c1)cnn3c(CO)nnc23

InChI

InChIKey=BZYKRGSMRXJBCF-UHFFFAOYSA-N
InChI=1S/C10H8N4O/c15-6-9-12-13-10-8-4-2-1-3-7(8)5-11-14(9)10/h1-5,15H,6H2

HIDE SMILES / InChI

Molecular Formula C10H8N4O
Molecular Weight 200.1971
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 15:13:50 UTC 2021
Edited
by admin
on Sat Jun 26 15:13:50 UTC 2021
Record UNII
RL977557T9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYMETHYL-S-TRIAZOLO(3,4-A)PHTHALAZINE
Systematic Name English
1,2,4-TRIAZOLO(3,4-A)PHTHALAZINE-3-METHANOL
Systematic Name English
3-HYDROXYMETHYLTRIAZOLOPHTHALAZINE
Systematic Name English
Code System Code Type Description
CAS
54687-66-0
Created by admin on Sat Jun 26 15:13:50 UTC 2021 , Edited by admin on Sat Jun 26 15:13:50 UTC 2021
PRIMARY
PUBCHEM
150272
Created by admin on Sat Jun 26 15:13:50 UTC 2021 , Edited by admin on Sat Jun 26 15:13:50 UTC 2021
PRIMARY
FDA UNII
RL977557T9
Created by admin on Sat Jun 26 15:13:50 UTC 2021 , Edited by admin on Sat Jun 26 15:13:50 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Acetylation was proposed as the major pathway for hydralazine clearance, where the acetylated drug, 3-methyl-s-triazolo[3,4-a )phthalazine (ITI), may be further metabolized to 3-hydroxymethyl-s -triazolo(3,4-a)phthalazine