Basic information
- CAS
3428-05-5- Standard SMILES
CC(=NNC(=O)c1ccncc1)C(=O)[O-].CC(=NNC(=O)c1ccncc1)C(=O)[O-].[Ca+2]- InChIKey
MNXSNBWJLVPGGM-UHFFFAOYSA-L- Molecular formula
- C18H16CaN6O6
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 452.0757231
Names & identifiers
- Preferred name
- Pyruvic acid calcium isoniazid
- IUPAC
- calcium bis(2-(pyridine-4-carbonylhydrazinylidene)propanoate)
- English name
- Calcium 2-[[hydroxy(4-pyridyl)methylene]hydrazono]propionate
- Molecular weight
- 0
Names & synonyms
Pyruvic acid calcium isoniazonePyruvic acid calcium isoniazid3428-05-5M4Q640072ZIsoniazid calcium pyruvinateIsoniazid calcium pyruvateUNII-M4Q640072ZPyruvic acid calcium isoniazid [JAN]ISONIAZID CALCIUM PYRUVINATE [JAN]ISONIAZID CALCIUM PYRUVINATE [WHO-DD]PYRUVIC ACID CALCIUM ISONIAZID ANHYDROUSIsoniazid calcium pyruvinate (JAN)
Show more names
Isonizid calcium pyruvateCalcium pyruvate isoniazoneCalcium 2-[[hydroxy(4-pyridyl)methylene]hydrazono]propionateBis[2-[2-(4-pyridinylcarbonyl)hydrazono]propanoic acid] calcium saltBis[2-[2-[hydroxy(4-pyridyl)methylene]hydrazono]propionic acid] calcium salt
Isonicotinic acid, (1-carboxyethylidene)hydrazide, calcium salt (2:1)4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazine, calcium salt (2:1)ISONICOTINIC ACID, (1-CARBOXYETHYLIDENE)HYDRAZIDE CALCIUM SALT (2:1)4-PYRIDINECARBOXYLIC ACID, (1-CARBOXYETHYLIDENE)HYDRAZIDE CALCIUM SALT (2:1)RefChem:1779714-PYRIDINECARBOXYLIC ACID, 2-(1-CARBOXYETHYLIDENE)HYDRAZIDE, CALCIUM SALT (2:1)DTXSID901362422Pyruvic acid calcium isoniazid heptahydrate
Database identifiers
- CAS
3428-05-5- PubChem CID
- 71468
- DTXSID
DTXSID901362422- ChEMBL
CHEMBL2107174- UNII
- M4Q640072Z
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- FDA UNII
- 4 Q640072Z · M4Q640072Z
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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