Basic information
- CAS
17608-64-9- Standard SMILES
CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCN(CCO)CC2)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12- InChIKey
UKALKDKOCSFYMY-SXUBPORVSA-N- Molecular formula
- C29H38N4O10
- Average molar mass
- 602.6 g/mol
- Monoisotopic mass
- 602.25879342
Names & identifiers
- Preferred name
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo-
- IUPAC
- (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Names & synonyms
DTXSID40109923617608-64-92-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo-
Database identifiers
- CAS
17608-64-9- PubChem CID
- 165366201
- DTXSID
DTXSID401099236
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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