Basic information
- CAS
77639-70-4- Standard SMILES
Cn1cccc1C(=O)C(C#N)C(=O)Nc1ccccc1.OCCN(CCO)CCO- InChIKey
HZXCDXNTMAAZIL-UHFFFAOYSA-N- Molecular formula
- C21H28N4O5
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.20597001
Names & identifiers
- Preferred name
- Prinomide trolamine
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-cyano-3-(1-methylpyrrol-2-yl)-3-oxo-N-phenylpropanamide
- English name
- prinomide
- Molecular formula
- C21H28N4O5
- Molecular weight
- 416.48
Names & synonyms
prinomide trolamineQS47I8M51BRefChem:109661677639-70-4CGS-10787BPrinomide triethanolamineUNII-QS47I8M51Borb3174408DTXSID20998859Q272874682-Cyano-3-(1-methyl-1H-pyrrol-2-yl)-3-oxo-N-phenylpropanimidic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)Pyrrole-2-propionanilide, alpha-cyano-1-methyl-beta-oxo-, compd. with 2,2',2''-nitrilotriethanol
Database identifiers
- CAS
77639-70-4- PubChem CID
- 127553
- DTXSID
DTXSID20998859- UNII
- QS47I8M51B
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- FDA UNII
- 47 I8M51B · QS47I8M51B
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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