72786-10-8
Product Name:
BETA-FUNALTREXAMINE HYDROCHLORIDE
Formula:
C25H31ClN2O6
Synonyms:
β-FNA hydrochloride;(E)-4-[[(5α,6β)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]amino]-4-oxo-2-butenoic acid methyl ester hydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 491.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 490.1870644 g/mol |
| Monoisotopic Mass | 490.1870644 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 860 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |