Echitamine
methyl 13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
Also Known As: Echitamine|B0005-148527|methyl (1S,9R,10S,12S,13E,18S)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.0^{1,9.0^{2,7.0^{9,15]octadeca-2,4,6-triene-18-carboxylate
CAS: 6871-44-9
| Molecular Formula | C22H29N2O4+ |
|---|---|
| Molecular Weight | 385.21274 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.21274 |
| Monoisotopic Mass | 385.21274 |
| Heavy Atoms | 28 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 6871-44-9 |
|---|---|
| SMILES | CC=C1C[N+]2(CCC34C2(C(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C |
| InChIKey | AFJPGVUCVDCFPM-UHFFFAOYSA-N |
Product Overview
Echitamine (CAS 6871-44-9), with molecular formula C22H29N2O4+ and molecular weight 385.21274 g/mol. IUPAC: methyl 13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate.
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.
View MSDS →
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