RefChem:1058517
(E)-but-2-enedioic acid;1-(1H-indol-3-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Also Known As: 2,3,4,9-Tetrahydro-1-(3-indolylmethyl)-1H-pyrido(3,4-b)indol-6-ol (E)-2-butenedioate (1:1)|1H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-1-(3-indolylmethyl)-, (E)-2-butenedioate (1:1)|(Indolyl-3' methyl)-1 tetrahydro-2,3,4,9-1H-beta-carbolinol-6 fumarate [French]|6-Hydroxy-1-(3'-indolylmethyl)-1,2,3,4-tetrahydro(9H)pyrido(3,4)indole fumarate|(Indolyl-3' methyl)-1 tetrahydro-2,3,4,9-1H-beta-carbolinol-6 fumarate|(E)-but-2-enedioic acid; 1-(1H-indol-3-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
| Molecular Formula | C24H23N3O5 |
|---|---|
| Molecular Weight | 433.16376 g/mol |
| LogP | 3.4961 |
| Topological Polar Surface Area | 138.44 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.16376 |
| Monoisotopic Mass | 433.16376 |
| Heavy Atoms | 32 |
| Complexity | 1301.9237 |
Chemical Identifiers
| CAS Number | 61326-53-2 |
|---|---|
| SMILES | C1CNC(C2=C1C3=C(N2)C=CC(=C3)O)CC4=CNC5=CC=CC=C54.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058517 (CAS 61326-53-2), with molecular formula C24H23N3O5 and molecular weight 433.16376 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(1H-indol-3-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol.