RefChem:1088007
(E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Ketone, 4-(hexahydro-1H-azepin-1-yl)carbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate|KETONE, 4-(HEXAHYDRO-1H-AZEPIN-1-YL)CARBONYLMETHYLPIPERAZINYL 3,4,5-TRIMETHOXYCI|(E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one; (Z)-4-hydroxy-4-oxobut-2-enoate
CAS: 75348-45-7
| Molecular Formula | C29H41N3O9 |
|---|---|
| Molecular Weight | 575.2843 g/mol |
| LogP | -0.3775 |
| Topological Polar Surface Area | 150.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 575.2843 |
| Monoisotopic Mass | 575.2843 |
| Heavy Atoms | 41 |
| Complexity | 1071.2484 |
Chemical Identifiers
| CAS Number | 75348-45-7 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C/CC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)OC)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1088007 (CAS 75348-45-7), with molecular formula C29H41N3O9 and molecular weight 575.2843 g/mol. IUPAC: (E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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