2,3,4-Trihydroxybenzylhydrazine
Basic information
- CAS
3614-72-0- Standard SMILES
NNCc1ccc(O)c(O)c1O- InChIKey
BARUGVIPWPSKOJ-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914219
Overview
structure
Names & identifiers
- Preferred name
- 2,3,4-Trihydroxybenzylhydrazine
- IUPAC
- 4-(hydrazinylmethyl)benzene-1,2,3-triol
- English name
- 2,3,4-Trihydroxybenzylhydrazine, methylate
- Molecular formula
- C7H10N2O3
- Molecular weight
- 170.17
Names & synonyms
2,3,4-Trihydroxybenzylhydrazine3614-72-0D387W7W5XW1,2,3-Benzenetriol, 4-(hydrazinomethyl)-DTXSID50189718RefChem:81321DTXCID101122094-(hydrazinylmethyl)benzene-1,2,3-triolRo 4-51274-(hydrazinomethyl)benzene-1,2,3-trioltrihydroxybenzyl4-(Hydrazinylmethyl)-1,2,3-benzenetriol
Show more names
Ro-4-5127Ro 4-5127 MethylateBENSERAZIDE IMPURITYBenserazide THBH ImpuritytrihydroxybenzylhydrazineDopashydrazine Impurity 64-(Hydrazinomethyl)pyrogallol1-(2,3,4-Trihydroxybenzyl)hydrazine
UNII-D387W7W5XWSCHEMBL960307Discontinued, see T7950303614-72-0(free base)AKOS006285235FT578904-(hydrazineylmethyl)benzene-1,2,3-triolDB-260268
Database identifiers
- CAS
3614-72-0- PubChem CID
- 188973
- DTXSID
DTXSID50189718- UNII
- D387W7W5XW
- Nikkaji
- J395.162F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Benserazide
Physicochemical properties
- Boiling point
- 491.4 · 491.4±45.0 °C(Predicted)
- Density
- 1.498 · 1.498±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly, Sonicated), Methanol (Very Slightly, Heated, Sonicated)
- form
- Solid
- pka
- 9.46 · 9.46±0.40(Predicted)
- color
- White to Light Brown
- FDA UNII
- 387 W7W5XW · D387W7W5XW
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds and drugs that block or inhibit the enzymatic action of AROMATIC AMINO ACID DECARBOXYLASES. Pharmaceutical agents in this category are used in conjunction with LEVODOPA in order to slow its metabolism.
Applications
Uses2,3,4-TRIHYDROXYBENZYLHYDRAZINE, METHYLATE is a metabolite of Benserazide, which is used as an antiparkinson
UsesThe active metabolite of Benserazide (B120500), which is used as an antiparkinson.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…