Taltirelin tetrahydrate
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide;tetrahydrate
Also Known As: Taltirelin hydrate|Taltirelin tetrahydrate|Ceredist|taltirelinhydrate|Ceredist (TN)|Taltirelin hydrate (JP18)|TALTIRELIN HYDRATE [JAN]|TALTIRELIN TETRAHYDRATE [MI]|TA 0910|TALTIRELIN TETRAHYDRATE [WHO-DD]|(1-methyl-4,5-dihydroorotyl)-histidyl-prolinamide|N-{[(4S)-1-methyl-2,6-dioxohexahydropyrimidin-4-yl]carbonyl}-L-histidyl-L-prolinamide tetrahydrate|(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide;tetrahydrate|L-Prolinamide, N-(((4S)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, tetrahydrate|(-)-N-[(S)-hexahydro-1-methyl- 2,6-dioxo-4-pyrimidinyl-carbonyl]-L-histidyl-L-prolinamide tetrahydrate|(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide tetrahydrate|L-PROLINAMIDE, N-(((4S)-HEXAHYDRO-1-METHYL-2,6-DIOXO-4-PYRIMIDINYL)CARBONYL)-L-HISTIDYL-, HYDRATE (1:4)|N-[(4S)-1-Methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]-L-histidyl-L-prolinamide--water (1/4)|N-{[(4S)-1-methyl-2,6-dioxohexahydropyrimidin-4-yl]carbonyl}-L-histidyl-L-prolinamide--water (1/4)
| Molecular Formula | C17H31N7O9 |
|---|---|
| Molecular Weight | 477.21832 g/mol |
| LogP | -5.4452 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.21832 |
| Monoisotopic Mass | 477.21832 |
| Heavy Atoms | 33 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 201677-75-0 |
|---|---|
| SMILES | CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N.O.O.O.O |
| InChIKey | HRCJDWMUKPHPHR-NTFWNTCYSA-N |
Product Overview
Taltirelin tetrahydrate (CAS 201677-75-0), with molecular formula C17H31N7O9 and molecular weight 477.21832 g/mol. IUPAC: (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide;tetrahydrate.