10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium
(9R,10S,13R,14S,16S,18R)-4-bromo-13-ethyl-15-hexyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol
Also Known As: N(sub b)-n-Hexyl-10-bromosandwicinium hydrogen tartrate|10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium|Ajmalanium, 10-bromo-17,21-dihydroxy-4-hexyl-, (17R,21-alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1)|(17R)-10-Bromo-4-hexyl-17,21beta-dihydroxy-16xi,20alpha-ajmalan-4-ium
| Molecular Formula | C26H38BrN2O2+ |
|---|---|
| Molecular Weight | 489.21167 g/mol |
| LogP | 4.4121 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.21167 |
| Monoisotopic Mass | 489.21167 |
| Heavy Atoms | 31 |
| Complexity | 894.15796 |
Chemical Identifiers
| CAS Number | 79731-93-4 |
|---|---|
| SMILES | CCCCCC[N+]12[C@H]3CC([C@H]([C@@H]1O)CC)C4[C@@H]2CC5([C@H]3N(C6=C5C=C(C=C6)Br)C)[C@@H]4O |
Product Overview
10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium (CAS 79731-93-4), with molecular formula C26H38BrN2O2+ and molecular weight 489.21167 g/mol. IUPAC: (9R,10S,13R,14S,16S,18R)-4-bromo-13-ethyl-15-hexyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol.
10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium is a custom synthesis product. We offer services from milligram to kilogram scale.
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