Basic information
- CAS
41932-12-1- Standard SMILES
CN1CCN(C2Cc3ccccc3S(=O)(=O)c3ccc(Cl)cc32)CC1.O=C(O)/C=C/C(=O)O- InChIKey
IMFLWAWNDGSOFK-WLHGVMLRSA-N- Molecular formula
- C23H25ClN2O6S
- Average molar mass
- 493 g/mol
- Monoisotopic mass
- 492.1121854
Names & identifiers
- Preferred name
- Octoclothepin 5,5-dioxide maleate
- IUPAC
- (E)-but-2-enedioic acid;3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide
Names & synonyms
Octoclothepin 5,5-dioxide maleate41932-12-1RefChem:10938258-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5,5-dioxide maleatePiperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,S-dioxide, (Z)-2-butenedioate (1:1)
Database identifiers
- CAS
41932-12-1- PubChem CID
- 6445814
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 689
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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