Basic information
- CAS
121211-25-4- Standard SMILES
Cl.O=C1c2cccc(O)c2C(=O)c2c(O)cc(CN3CCCCC3)cc21- InChIKey
UPQBUEJAZVYEHD-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO4
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1080858
Names & identifiers
- Preferred name
- 1,8-Dihydroxy-3-(piperidin-1-ylmethyl)anthracene-9,10-dione;hydrochloride
- IUPAC
- 1,8-dihydroxy-3-(piperidin-1-ylmethyl)anthracene-9,10-dione;hydrochloride
Names & synonyms
SK 31665121211-25-4DTXSID901531901,8-Dihydroxy-3-[(piperidin-1-yl)methyl]anthracene-9,10-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
121211-25-4- PubChem CID
- 147676
- DTXSID
DTXSID90153190
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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