Basic information
- CAS
57791-10-3- Standard SMILES
CN(C)CCC1(C)OCCc2c1n(C)c1cccc(Cl)c21.O=C(O)/C=C/C(=O)O- InChIKey
VGTBYEHGQGKPNL-WLHGVMLRSA-N- Molecular formula
- C21H27ClN2O5
- Average molar mass
- 422.9 g/mol
- Monoisotopic mass
- 422.1608497
Names & identifiers
- Preferred name
- Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-5-chloro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, maleate
- IUPAC
- (E)-but-2-enedioic acid;2-(5-chloro-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine
Names & synonyms
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-5-chloro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, maleate57791-10-3RefChem:1097186
Database identifiers
- CAS
57791-10-3- PubChem CID
- 6446367
Properties
Computed structural properties
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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