Basic information
- CAS
81085-93-0- Standard SMILES
CN(C)CCNC(=O)Cc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O.Cl- InChIKey
ZZWDVOQSWQDXPW-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O5
- Average molar mass
- 404.8 g/mol
- Monoisotopic mass
- 404.1138995
Names & identifiers
- Preferred name
- 2-Anthraceneacetamide, N-(2-(dimethylamino)ethyl)-9,10-dihydro-1,4-dihydroxy-9,10-dioxo-, monohydrochloride
- IUPAC
- 2-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
Names & synonyms
81085-93-02-Anthraceneacetamide, N-(2-(dimethylamino)ethyl)-9,10-dihydro-1,4-dihydroxy-9,10-dioxo-, monohydrochlorideCHEMBL544352DTXSID70230877NSC331756NSC 331756NSC-331756N-(2-(Dimethylamino)ethyl)-9,10-dihydro-1,4-dihydroxy-9,10-dioxo-2-anthraceneacetamide monohydrochloride2-(1,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide--hydrogen chloride (1/1)
Database identifiers
- CAS
81085-93-0- PubChem CID
- 149882
- DTXSID
DTXSID70230877- ChEMBL
CHEMBL544352
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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