Basic information
- CAS
121211-24-3- Standard SMILES
Cl.O=C1c2cccc(O)c2C(=O)c2c(O)cc(CN3CCCC3)cc21- InChIKey
LEFRUFHGYPFCJJ-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO4
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.0924357
Names & identifiers
- Preferred name
- 1,8-Dihydroxy-3-(pyrrolidin-1-ylmethyl)anthracene-9,10-dione;hydrochloride
- IUPAC
- 1,8-dihydroxy-3-(pyrrolidin-1-ylmethyl)anthracene-9,10-dione;hydrochloride
Names & synonyms
SK 31669121211-24-3DTXSID801531891,8-Dihydroxy-3-[(pyrrolidin-1-yl)methyl]anthracene-9,10-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
121211-24-3- PubChem CID
- 147674
- DTXSID
DTXSID80153189
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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