Basic information
- CAS
25616-72-2- Standard SMILES
CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/CCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
BGGKUJHBCOHBQO-VQQMUMEOSA-N- Molecular formula
- C32H39N3O11S2
- Average molar mass
- 705.8 g/mol
- Monoisotopic mass
- 705.20260142
Names & identifiers
- Preferred name
- Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-propylidene)-, dimaleate, (E)-
- IUPAC
- bis((E)-but-2-enedioic acid);(9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethylthioxanthene-2-sulfonamide
Names & synonyms
25616-72-2Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-propylidene)-, dimaleate, (E)-RefChem:1100071
Database identifiers
- CAS
25616-72-2- PubChem CID
- 6445239
Properties
Computed structural properties
- Topological polar surface area
- 247 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 863
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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