3-HYDROXYMETHYL-S-TRIAZOLO(3,4-A)PHTHALAZINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H8N4O
Molecular Weight	200.1967
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

OCC1=NN=C2N1N=CC3=C2C=CC=C3

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	200.1967
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical
Record UNII	RL977557T9
Record Status	`Validated (UNII)`
Record Version

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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

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Code System

Code

Type

Description

CAS

54687-66-0

PRIMARY

PUBCHEM

150272

PRIMARY

EPA CompTox

DTXSID30969979

PRIMARY

FDA UNII

RL977557T9

PRIMARY

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Related Record

Type

Details


					26NAK24LS8

HYDRALAZINE

PARENT -> METABOLITE INACTIVE

Comments:

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

Amount:

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