111581-85-2
111581-85-2 structure
- Name: (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
- Chemical Name: (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
- CAS Number: 111581-85-2
- Molecular Formula: C25H28N2O5
- Molecular Weight: 436.50000
- Create Date: 2017-05-13 16:59:34
- Modify Date: 2024-04-09 12:57:23
| Name | (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid |
|---|---|
| Synonyms |
Pyrido(2,1-a)(2)benzazepine-4-carboxylic acid,7-((1-carboxy-3-phenylpropyl)amino)-1,2,3,4,6,7,8,12a-octahydro-6-oxo-,(4S-(4alpha,7alpha(R*),12bbeta))
Mdl-27,088 (4S,7S,12bR)-7-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid 7-(1-Carboxy-3-phenylpropyl)amino-1,2,3,4,6,7,8,12b-octahydro-6-oxopyrido(2,1a)-2-benzazepine-4-carboxylic acid |
| Density | 1.34g/cm3 |
|---|---|
| Boiling Point | 708.7ºC at 760mmHg |
| Molecular Formula | C25H28N2O5 |
| Molecular Weight | 436.50000 |
| Flash Point | 382.4ºC |
| Exact Mass | 436.20000 |
| PSA | 106.94000 |
| LogP | 3.12250 |
| Vapour Pressure | 4.45E-21mmHg at 25°C |
| Index of Refraction | 1.647 |