Basic information
- CAS
72170-35-5- Standard SMILES
CCOC(=O)c1cc(-c2ccc3c(c2)N(CCC[NH+](C)C)c2ccccc2S3)nc2ccc(C)cc12.[Cl-]- InChIKey
NKVXFKLWLACSCT-UHFFFAOYSA-N- Molecular formula
- C30H32ClN3O2S
- Average molar mass
- 534.1 g/mol
- Monoisotopic mass
- 533.1903761
Names & identifiers
- Preferred name
- Cinchoninic acid, 2-(10-(3-(dimethylamino)propyl)-2-phenothiazinyl)-6-methyl-, ethyl ester, hydrochloride
- IUPAC
- 3-[2-(4-ethoxycarbonyl-6-methylquinolin-2-yl)phenothiazin-10-yl]propyl-dimethylazanium chloride
Names & synonyms
72170-35-5Cinchoninic acid, 2-(10-(3-(dimethylamino)propyl)-2-phenothiazinyl)-6-methyl-, ethyl ester, hydrochlorideRefChem:334146
Database identifiers
- CAS
72170-35-5- PubChem CID
- 51552
Properties
Computed structural properties
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 735
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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