2-Anthraceneacetamide, N-(3-(dimethylamino)propyl)-9,10-dihydro-1,4-dihydroxy-9,10-dioxo-, monohydrochloride
Basic information
- CAS
81085-95-2- Standard SMILES
CN(C)CCCNC(=O)Cc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O.Cl- InChIKey
YUXFIWZYHMHKTC-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O5
- Average molar mass
- 418.9 g/mol
- Monoisotopic mass
- 418.1295495
Names & identifiers
- Preferred name
- 2-Anthraceneacetamide, N-(3-(dimethylamino)propyl)-9,10-dihydro-1,4-dihydroxy-9,10-dioxo-, monohydrochloride
- IUPAC
- 2-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
Names & synonyms
81085-95-22-Anthraceneacetamide, N-(3-(dimethylamino)propyl)-9,10-dihydro-1,4-dihydroxy-9,10-dioxo-, monohydrochlorideCHEMBL543410DTXSID90230879NSC328802NSC 328802NSC-328802N-(3-(Dimethylamino)propyl)-9,10-dihydro-1,4-dihydroxy-9,10-dioxo-2-anthraceneacetamide monohydrochlorideDS-0129592-(1,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-N-[3-(dimethylamino)propyl]acetamide--hydrogen chloride (1/1)2-Anthraceneacetamide,n-[3-(dimethylamino)propyl]-9,10-dihydro-1,4-dihydroxy-9,10-dioxo-,hydrochloride
Database identifiers
- CAS
81085-95-2- PubChem CID
- 157358
- DTXSID
DTXSID90230879- ChEMBL
CHEMBL543410
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 608
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Related reactions
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Compound notes
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