Nih 10358
N-(4-hydroxy-13-methoxy-17-methyl-14-oxo-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5,18-tetraen-12-yl)-2-(4-isothiocyanatophenyl)acetamide
Also Known As: Nih 10358|Nih-10358|6,14-Endoetheno-7alpha-(p-isothiocyanatophenylacetylamino)tetrahydrooripavine|N-(4-Hydroxy-13-methoxy-17-methyl-14-oxo-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5,18-tetraen-12-yl)-2-(4-isothiocyanatophenyl)acetamide|Benzeneacetamide, N-((5alpha,7alpha)-4,5-eoxy-3-hydroxy-6-methoxy-17-methyl-6,14-ethenomorphinan-7-yl)-4-isothiocyanato-|N-(3-Hydroxy-6-methoxy-17-methyl-5-oxo-6,14-ethenomorphinan-18-yl)(4-isothiocyanatophenyl)ethanimidic acid|N-(3-Hydroxy-6-methoxy-17-methyl-5-oxo-6,14-ethenomorphinan-7-yl)-2-(4-isothiocyanatophenyl)ethanimidic acid
| Molecular Formula | C29H29N3O4S |
|---|---|
| Molecular Weight | 515.18787 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.18787 |
| Monoisotopic Mass | 515.18787 |
| Heavy Atoms | 37 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 95386-99-5 |
|---|---|
| SMILES | CN1CCC23C4=C(CC1C25CC(C(C3=O)(C=C5)OC)NC(=O)CC6=CC=C(C=C6)N=C=S)C=CC(=C4)O |
| InChIKey | SZYGMFJYHOGVLB-UHFFFAOYSA-N |
Product Overview
Nih 10358 (CAS 95386-99-5), with molecular formula C29H29N3O4S and molecular weight 515.18787 g/mol. IUPAC: N-(4-hydroxy-13-methoxy-17-methyl-14-oxo-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5,18-tetraen-12-yl)-2-(4-isothiocyanatophenyl)acetamide.
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