NCX 1000

Chemical Information
NCX-1000 is under investigation in clinical trial NCT00414869 (Preliminary Efficacy and Tolerability of NCX-1000 After Repeated Oral Doses in Patients With Elevated Portal Pressure).
| CAS Number | 401519-96-8 |
| PubChem CID | 129628949 |
| IUPAC Name | [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Molecular Formula | C38H55NO10 |
| Molecular Weight | 685.8 |
| XLogP | 8 |
| Topological Polar Surface Area | 157 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 15 |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1170 |
| Property | Value |
|---|---|
| Molecular Weight | 685.8 |
| XLogP3 | 8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 15 |
| Exact Mass | 685.38259695 |
| Monoisotopic Mass | 685.38259695 |
| Topological Polar Surface Area | 157 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1170 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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