Basic information
- CAS
100857-77-0- Standard SMILES
CCOC(=O)c1cc(-c2ccc3c(c2)N(CCCN2CC[NH+](C)CC2)c2ccccc2S3)nc2ccccc12.[Cl-]- InChIKey
USGPAIYMZBMJGF-UHFFFAOYSA-N- Molecular formula
- C32H35ClN4O2S
- Average molar mass
- 575.2 g/mol
- Monoisotopic mass
- 574.2169252
Names & identifiers
- Preferred name
- Cinchoninic acid, 2-(10-(3-(4-methyl-1-piperazinyl)propyl)-2-phenothiazinyl)-, ethyl ester, dihydrochloride, hydrate
- IUPAC
- ethyl 2-[10-[3-(4-methylpiperazin-4-ium-1-yl)propyl]phenothiazin-2-yl]quinoline-4-carboxylate chloride
Names & synonyms
100857-77-0Cinchoninic acid, 2-(10-(3-(4-methyl-1-piperazinyl)propyl)-2-phenothiazinyl)-, ethyl ester, dihydrochloride, hydrateRefChem:334145
Database identifiers
- CAS
100857-77-0- PubChem CID
- 58089
Properties
Computed structural properties
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 807
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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