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| IUPAC Name: | 2-carbamoylbenzoic acid |
| Description: | Phthalamic acid (CAS# 88-97-1) is an impurity of Brexpiprazole (B677385), which is a drug candidate useful in treatment and prevention of mental disorders including CNS disorders. |
| Molecular Weight: | 165.15 |
| Molecular Formula: | C8H7NO3 |
| Canonical SMILES: | C1=CC=C(C(=C1)C(=O)N)C(=O)O |
| InChI: | InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12) |
| InChI Key: | CYMRPDYINXWJFU-UHFFFAOYSA-N |
| Boiling Point: | 394.2 °C at 760 mmHg |
| Melting Point: | 140-143 °C (lit.) |
| Purity: | 95 % |
| Density: | 1.368 g/cm3 |
| MDL: | MFCD00025476 |
| LogP: | 1.18400 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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