2-Hydroxysuccinic Acid - (4,6-Dimethyl-5-Pyrimidinyl){4-[(3S)-4-{(1R)-2-Methoxy-1-[4-(Trifluoromethyl)Phenyl]Ethyl}-3-Methyl-1-Piperazinyl]-4-Methyl-1-Piperidinyl}Methanone (1:1)
[CAS# 5840-09-5]

Identification

• Name: 2-Hydroxysuccinic Acid - (4,6-Dimethyl-5-Pyrimidinyl){4-[(3S)-4-{(1R)-2-Methoxy-1-[4-(Trifluoromethyl)Phenyl]Ethyl}-3-Methyl-1-Piperazinyl]-4-Methyl-1-Piperidinyl}Methanone (1:1)
• Synonyms: ((R)-1-Methyl-piperidin-3-ylamino)-acetic acid; ((R)-1-Methyl-pyrrolidin-3-ylamino)-acetic acid; ((R)-3-Hydroxy-piperidin-1-yl)-acetic acid
• Molecular Formula: C₃₂H₄₄F₃N₅O₇
• Molecular Weight: 667.72
• CAS Registry Number: 5840-09-5
• SMILES: O=C(O)CC(O)C(=O)O.FC(F)(F)c1ccc(cc1)[C@@H](N4[C@H](CN(C3(CCN(C(=O)c2c(ncnc2C)C)CC3)C)CC4)C)COC
• InChI: 1S/C28H38F3N5O2.C4H6O5/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3;5-2(4(8)9)1-3(6)7/h6-9,18-19,24H,10-17H2,1-5H3;2,5H,1H2,(H,6,7)(H,8,9)/t19-,24-;/m0./s1
• InChIKey: HQJIGHNTROUVLT-RIAYWLAYSA-N

Properties

• Boiling point: 608.1°C at 760 mmHg (Cal.)
• Flash point: 321.5°C (Cal.)