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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14N6O.2ClH.H2O
Molecular Weight 301.174
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(1-PIPERAZINYL)-2,4-PYRIMIDINEDIAMINE-3-OXIDE DIHYDROCHLORIDE MONOHYDRATE

SMILES

O.Cl.Cl.NC1=NC(=CC(N)=[N+]1[O-])N2CCNCC2

InChI

InChIKey=RMYWJPZNXPOIRJ-UHFFFAOYSA-N
InChI=1S/C8H14N6O.2ClH.H2O/c9-6-5-7(12-8(10)14(6)15)13-3-1-11-2-4-13;;;/h5,11H,1-4,9H2,(H2,10,12);2*1H;1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H14N6O
Molecular Weight 210.2364
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:04:38 GMT 2025
Edited
by admin
on Mon Mar 31 19:04:38 GMT 2025
Record UNII
6G38G29MJT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(1-PIPERAZINYL)-2,4-PYRIMIDINEDIAMINE-3-OXIDE DIHYDROCHLORIDE MONOHYDRATE
Systematic Name English
3-HYDROXY-2-IMINO-6-(1-PIPERAZINYL)-4-PYRIMIDINAMINE HYDRATE DIHYDROCHLORIDE
Preferred Name English
4-PYRIMIDINAMINE, 2,3-DIHYDRO-3-HYDROXY-2-IMINO-6-(1-PIPERAZINYL)-, HYDROCHLORIDE, HYDRATE (1:2:1)
Systematic Name English
Code System Code Type Description
FDA UNII
6G38G29MJT
Created by admin on Mon Mar 31 19:04:38 GMT 2025 , Edited by admin on Mon Mar 31 19:04:38 GMT 2025
PRIMARY
CAS
1049734-03-3
Created by admin on Mon Mar 31 19:04:38 GMT 2025 , Edited by admin on Mon Mar 31 19:04:38 GMT 2025
PRIMARY
PUBCHEM
6448182
Created by admin on Mon Mar 31 19:04:38 GMT 2025 , Edited by admin on Mon Mar 31 19:04:38 GMT 2025
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY