Pirolazamide
Basic information
- CAS
39186-49-7- Standard SMILES
NC(=O)C(CCN1CCN2CCCC2C1)(c1ccccc1)c1ccccc1- InChIKey
SEINJQWGYXAADT-UHFFFAOYSA-N- Molecular formula
- C23H29N3O
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.23106256
Overview
structure
Names & identifiers
- Preferred name
- Pirolazamide
- IUPAC
- 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-diphenylbutanamide
- English name
- Pirolazamide
- Molecular formula
- C23H29N3O
- Molecular weight
- 363.502
Names & synonyms
Pirolazamide39186-49-7PirolazamidaPirolazamidumSC-26438GQN5BVM24WHexahydro-alpha,alpha-diphenylpyrrolo-(1,2-alpha)pyrazine-2(1H)-butyramideRefChem:9293524-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-diphenylbutanamideUNII-GQN5BVM24WPirolazamide [USAN:INN]Pirolazamidum [INN-Latin]
Show more names
Pyrrolo[1,2-a]pyrazine-2(1H)-butanamide, hexahydro-α,α-diphenyl-
Pirolazamida [INN-Spanish]Pirolazamide (USAN/INN)PIROLAZAMIDE [INN]PIROLAZAMIDE [USAN]SCHEMBL667160CHEMBL2106959DTXSID70865946Hexahydro-alpha,alpha-diphenylpyrrolo(1,2-a)pyrazine-2(1H)-butyramide
Database identifiers
- CAS
39186-49-7- PubChem CID
- 71442
- DTXSID
DTXSID70865946- ChEMBL
CHEMBL2106959- UNII
- GQN5BVM24W
- Nikkaji
- J15.810K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Boiling point
- 582.8 · 582.8±50.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 15.78 · 15.78±0.50(Predicted)
- FDA UNII
- 5 BVM24W · GQN5BVM24W
Chemistry & industry
Applications
UsesCardiac depressant (anti-arrhythmic).
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Related reactions
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Compound notes
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