3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride
Basic information
- CAS
79418-49-8- Standard SMILES
CCN(CC)CC(=O)Nc1cc2cc3c(C)coc3cc2oc1=O.Cl- InChIKey
HYMJXGVBMTYAFQ-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2O4
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.1189848
Names & identifiers
- Preferred name
- 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride
- IUPAC
- 2-(diethylamino)-N-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide;hydrochloride
- English name
- 2-(Diethylamino)-N-(3-methyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-6-yl)ac etamide monohydrochloride
- Molecular weight
- 0
Names & synonyms
3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride79418-49-82-(Diethylamino)-N-(3-methyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-6-yl)acetamide monohydrochlorideDTXSID90229642Acetamide, 2-(diethylamino)-N-(3-methyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-6-yl)-, monohydrochlorideN~2~,N~2~-Diethyl-N-(3-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)glycinamide--hydrogen chloride (1/1)2-(Diethylamino)-N-(3-methyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-6-yl)ac etamide monohydrochloride
Database identifiers
- CAS
79418-49-8- PubChem CID
- 149772
- DTXSID
DTXSID90229642
Properties
Computed structural properties
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 529
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Compound notes
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