1,3-Propanediamine, N,N-diethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)
Basic information
- CAS
111380-20-2- Standard SMILES
CCN(CC)CCCNc1ncc(C)c2[nH]c3ccc(OC)cc3c12.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
QLDIWFCPVRBQRT-LVEZLNDCSA-N- Molecular formula
- C28H36N4O9
- Average molar mass
- 572.6 g/mol
- Monoisotopic mass
- 572.24822874
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N,N-diethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
Names & synonyms
1,3-Propanediamine, N,N-diethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)111380-20-2RefChem:1052980SR 957000A1-(3-Diethylaminopropylamino)-8-methoxy-4-methyl-5H-pyrido(4,3-b)indole dimaleate
Database identifiers
- CAS
111380-20-2- PubChem CID
- 6444211
Properties
Computed structural properties
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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