11a-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxonaphthacene-2-carboxamide hydrochloride
Basic information
- CAS
36003-67-5- Standard SMILES
C=C1c2cccc(O)c2C(=O)C2(Cl)C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C12.Cl- InChIKey
GIGNHTIXKDROBK-UHFFFAOYSA-N- Molecular formula
- C22H22Cl2N2O8
- Average molar mass
- 513.3 g/mol
- Monoisotopic mass
- 512.0753211
Names & identifiers
- Preferred name
- 11a-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxonaphthacene-2-carboxamide hydrochloride
- IUPAC
- 11a-chloro-4-(dimethylamino)-1,5,10,12a-tetrahydroxy-6-methylidene-3,11,12-trioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
Names & synonyms
EINECS 252-833-611a-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxonaphthacene-2-carboxamide hydrochloride36003-67-5GIGNHTIXKDROBK-UHFFFAOYSA-NNS00089388
Database identifiers
- CAS
36003-67-5- PubChem CID
- 54697484
- EC Number
- 252-833-6
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,020
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Compound notes
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