Basic information
- CAS
57791-06-7- Standard SMILES
CNCCCC1(C)OCCc2c1n(C)c1ccccc21.O=C(O)/C=C/C(=O)O- InChIKey
BLAPRVDYPDUONJ-WLHGVMLRSA-N- Molecular formula
- C21H28N2O5
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.199822
Names & identifiers
- Preferred name
- Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(3-(methylamino)propyl)-, maleate
- IUPAC
- (E)-but-2-enedioic acid;3-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N-methylpropan-1-amine
Names & synonyms
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(3-(methylamino)propyl)-, maleate57791-06-7RefChem:10971821-(3-Methylaminopropyl)-1,9-dimethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole maleate
Database identifiers
- CAS
57791-06-7- PubChem CID
- 6446366
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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