Anodyne| Nepicastat | |
|---|---|
 |
| Salts [] | |
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| Nepicastat hydrochloride | |
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| Molecular structure via molpic | |
| Conformer structure via 3Dmol.js | |
| Molecular formula | C14H15F2N3S[1] |
|---|---|
| Molecular mass | 295.35 g/mol[1] |
| Predicted LogP | 1.4[1] |
| Chirality | absolute[2] |
| Identifiers [] | |
|---|---|
| IUPAC name | 4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione[1] |
| SMILES | C1CC2=C(C[C@H]1N3C(=CNC3=S)CN)C=C(C=C2F)F[1] |
| InChI | InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1[1] |
| InChIKey | YZZVIKDAOTXDEB-JTQLQIEISA-N[1] |
| Dosing |
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Nepicastat
Nepicastat (also known as nepicastatum, SYN-117, 5-(Aminomethyl)-1-((S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthyl)-4-imidazoline-2-thione, Rs-25560-197, (S)-5-aminomethyl-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazole-2-thione, (S)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-dihydro-2h-imidazole-2-thione, 5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-dihydro-2H-imidazole-2-thione, 5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3H-imidazole-2-thione, 5-(aminomethyl)-1-((2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydro-2H-imidazole-2-thione or 5-(aminomethyl)-1-((2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-imidazole-2-thione) is a substance of the amphetamine class.
Chemistry
Nepicastat is typically found in the form of its hydrochloride salt.
Stereochemistry
Nepicastat is a absolute mixture