2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-6-(formyloxy)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, [4S-(4I+/-,4aI+/-,5aI+/-,6I(2),12aI+/-)]-
Basic information
- CAS
40112-69-4- Standard SMILES
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@H](OC=O)[C@H]3C[C@@H]12- InChIKey
LRMDSSYHTDWZLT-RZUMPNGZSA-N- Molecular formula
- C22H21ClN2O9
- Average molar mass
- 492.9 g/mol
- Monoisotopic mass
- 492.0935579
Names & identifiers
- Preferred name
- 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-6-(formyloxy)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, [4S-(4I+/-,4aI+/-,5aI+/-,6I(2),12aI+/-)]-
- IUPAC
- [(5S,5aS,6aS,7S,10aR)-9-carbamoyl-4-chloro-7-(dimethylamino)-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-5-yl] formate
Names & synonyms
DTXSID6010995492-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-6-(formyloxy)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, [4S-(4I+/-,4aI+/-,5aI+/-,6I(2),12aI+/-)]-40112-69-4
Database identifiers
- CAS
40112-69-4- PubChem CID
- 165366261
- DTXSID
DTXSID601099549
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,020
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…