exo-4-Amino-5-bromo-N-(8-(cyclohexylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-2-methoxy-Benzamide (Z)-2-butenedioate hydrate (5:5:4)
[CAS# 76352-03-9]

Identification

• Name: exo-4-Amino-5-bromo-N-(8-(cyclohexylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-2-methoxy-Benzamide (Z)-2-butenedioate hydrate (5:5:4)
• Synonyms: 4-Amino-5-Bromo-N-[8-(Cyclohexylmethyl)-8-Azabicyclo[3.2.1]Octan-3-Yl]-2-Methoxy-Benzamide; But-2-Enedioic Acid; Benzamide, 4-Amino-5-Bromo-N-(8-(Cyclohexylmethyl)-8-Azabicyclo(3.2.1)Oct-3-Yl)-2-Methoxy-, Exo-, (Z)-2-Butenedioate, Hydrate (5:5:4)
• Molecular Formula: C₂₆H₃₆BrN₃O₆
• Molecular Weight: 566.49
• CAS Registry Number: 76352-03-9
• SMILES: C4=C(C(=O)NC1CC2N(C(C1)CC2)CC3CCCCC3)C(=CC(=C4Br)N)OC.O=C(O)\C=C\C(=O)O
• InChI: 1S/C22H32BrN3O2.C4H4O4/c1-28-21-12-20(24)19(23)11-18(21)22(27)25-15-9-16-7-8-17(10-15)26(16)13-14-5-3-2-4-6-14;5-3(6)1-2-4(7)8/h11-12,14-17H,2-10,13,24H2,1H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: SQPNNLHCMJWEGU-WLHGVMLRSA-N

Properties

• Boiling point: 555.1°C at 760 mmHg (Cal.)
• Flash point: 289.5°C (Cal.)