2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, mixt. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
Basic information
- CAS
8015-18-7- Standard SMILES
CCC1(CC)C(=O)NC(=O)NC1=O.Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C- InChIKey
OUTUZEBQXNEVGY-UHFFFAOYSA-N- Molecular formula
- C21H29N5O4
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.22195442
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, mixt. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
- IUPAC
- 5,5-diethyl-1,3-diazinane-2,4,6-trione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- 5,5-diethyl-1,3-diazinane-2,4,6-trione: 4-dimethylamino-1,5-dimethyl-2 -phenyl-pyrazol-3-one
- Molecular formula
- C13H17N3O.C8H12N2O3
- Molecular weight
- 415.491
Names & synonyms
BarbipyrineBarbimonCotalmonPyramonSedalonVeramonVerodonGrelanPfeiffer's substance8015-18-72,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, mixt. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-oneDTXSID30230095
Show more names
5,5-diethyl-1,3-diazinane-2,4,6-trione: 4-dimethylamino-1,5-dimethyl-2 -phenyl-pyrazol-3-one
3H-Pyrazol-3-one, 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-, mixt. contg.RefChem:1059588DTXCID30152586Aminopyrine-barbitalPyrabitalVeramidaminophenazone barbitalOBN13Q4B1W
Database identifiers
- CAS
8015-18-7- PubChem CID
- 197101
- DTXSID
DTXSID30230095- UNII
- OBN13Q4B1W
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- Melting point
- 113 · 113-115°
- color
- Silky needles
- FDA UNII
- 13 Q4B1W · OBN13Q4B1W
- Toxicity
- 900 mg/kg · TDLo scu-mus: 900 mg/kg (9-11D preg):TER TXCYAC29,281,84
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- TDLo scu-mus: 900 mg/kg (9-11D preg):TER TXCYAC29,281,84
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Compound notes
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