Basic information
- CAS
69231-72-7- Standard SMILES
COc1ccc2c(c1)S(=O)c1ccc(Cl)cc1C(N1CCN(C)CC1)C2.O=C(O)/C=C/C(=O)O- InChIKey
LMDDRXRTLWZKAB-WLHGVMLRSA-N- Molecular formula
- C24H27ClN2O6S
- Average molar mass
- 507 g/mol
- Monoisotopic mass
- 506.1278355
Names & identifiers
- Preferred name
- Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;3-chloro-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Names & synonyms
69231-72-7Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide, (Z)-2-butenedioate (1:1)RefChem:1095917VUFB-107068-Chloro-3-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5-oxide maleate
Database identifiers
- CAS
69231-72-7- PubChem CID
- 6446972
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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