Basic information
- CAS
63834-12-8- Standard SMILES
CN1CCN(CCCN2c3ccccc3Sc3cc(CCS)ccc32)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O- InChIKey
BAGCVAVNDHTZSF-SPIKMXEPSA-N- Molecular formula
- C30H37N3O8S2
- Average molar mass
- 631.8 g/mol
- Monoisotopic mass
- 631.20220749
Names & identifiers
- Preferred name
- Phenothiazine, 3-(2-mercaptoethyl)-10-(3-(4-methylpiperazinyl)propyl)-, dimaleinate
- IUPAC
- bis((Z)-but-2-enedioic acid);2-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-3-yl]ethanethiol
Names & synonyms
Phenothiazine, 3-(2-mercaptoethyl)-10-(3-(4-methylpiperazinyl)propyl)-, dimaleinate63834-12-8RefChem:1094983USAF SZ-4Thioethyl-3-((methyl-4'-piperazinyl)-3'-propyl)-10-phenothiazine dimaleinate
Database identifiers
- CAS
63834-12-8- PubChem CID
- 6437795
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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