![6-[(7S)-7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methyl-2-naphthalenecarboxamide structure, CAS 566939-85-3](/structures/180000/171005_2_566939_85_3.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 566939-85-3 |
| Catalog No. | 2A-1170824 |
| Chinese Name | 6-[(7S)-7-羟基-6,7-二氢-5H-吡咯并[1,2-C]咪唑-7-基]-N-甲基-2-萘甲酰胺 |
| Synonyms | TAK 700; 6-[(7S)-7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methyl-2-naphthamide; TAK-700; TAK-700-Orteronel; Orteronel |
| Molecular Formula | C18H17N3O2 |
| Molecular Weight | 307.346 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 685.1±45.0 °C at 760 mmHg |
| Storage Condition | 2-8℃ |
| Application | Orteronel is a highly selective human 17,20-lyase with an IC50 of 38 nM. |
| PubChem ID | 14752017 |
| SMILES | CNC(=O)c1ccc2cc(C3(O)CCn4cncc43)ccc2c1 |
| InChI | InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1 |
| InChI Key | OZPFIJIOIVJZMN-SFHVURJKSA-N |
| Transport Info | Product name: Orteronel |
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