Phenothiazine-10-carboxylic acid, 4-(diethylamino)-2-butynyl ester, hydrochloride
Basic information
- CAS
99999-71-0- Standard SMILES
CCN(CC)CC#CCOC(=O)N1c2ccccc2Sc2ccccc21.Cl- InChIKey
CSFOVMVVIRDXTQ-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O2S
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.1168768
Names & identifiers
- Preferred name
- Phenothiazine-10-carboxylic acid, 4-(diethylamino)-2-butynyl ester, hydrochloride
- IUPAC
- 4-(diethylamino)but-2-ynyl phenothiazine-10-carboxylate;hydrochloride
Names & synonyms
Phenothiazine-10-carboxylic acid, 4-(diethylamino)-2-butynyl ester, hydrochloride99999-71-0DTXSID10244372RefChem:369568DTXCID101668634-(Diethylamino)but-2-yn-1-yl 10H-phenothiazine-10-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
99999-71-0- PubChem CID
- 3063142
- DTXSID
DTXSID10244372
Properties
Computed structural properties
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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