Trimethyl-[(13s,17s)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium (CHEM344670)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 12:56:23 UTC | ||||||||
| Update Date | 2026-08-31 12:56:23 UTC | ||||||||
| Accession Number | CHEM344670 | ||||||||
| Identification | |||||||||
| Common Name | Trimethyl-[(13s,17s)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium | ||||||||
| Class | Small Molecule | ||||||||
| Description | Trimethyl-[(13s,17s)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium is a compound with the formula C28H46N2O+2. It has an average molecular weight of 426.70 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H46N2O+2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 426.361 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Trimethyl-[(13s,17s)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC12CCC3C(C1CCC2[N+](C)(C)C)CCC4=C3C=CC(=C4)OCC[N+]5(CCCC5)C | ||||||||
| InChI Identifier | InChI=1S/C28H46N2O/c1-28-15-14-24-23-11-9-22(31-19-18-30(5)16-6-7-17-30)20-21(23)8-10-25(24)26(28)12-13-27(28)29(2,3)4/h9,11,20,24-27H,6-8,10,12-19H2,1-5H3/q+2/t24?,25?,26?,27-,28-/m0/s1 | ||||||||
| InChI Key | OJSWFMCSICEOOK-XDZYFCLLSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
