Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5,5-dioxide, maleate (1:1), (E)-
Basic information
- CAS
21508-40-7- Standard SMILES
Cc1ccc2c(c1)/C(=C/CC[NH+](C)C)c1ccccc1CS2(=O)=O.O=C([O-])/C=C\C(=O)O- InChIKey
DHMVQLFRUOFHRM-SSWKLUGPSA-N- Molecular formula
- C24H27NO6S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.15590875
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5,5-dioxide, maleate (1:1), (E)-
- IUPAC
- dimethyl-[(3E)-3-(2-methyl-5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Names & synonyms
21508-40-7Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5,5-dioxide, maleate (1:1), (E)-RefChem:1083321
Database identifiers
- CAS
21508-40-7- PubChem CID
- 6433786
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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