(2S,3S)-2,3-Dihydroxysuccinic Acid - N-{[(2S)-1-Butyl-2-Pyrrolidinyl]Methyl}-4-Cyano-1-Methoxy-2-Naphthamide (1:1)
[CAS# 173429-65-7]

Identification

• Name: (2S,3S)-2,3-Dihydroxysuccinic Acid - N-{[(2S)-1-Butyl-2-Pyrrolidinyl]Methyl}-4-Cyano-1-Methoxy-2-Naphthamide (1:1)
• Synonyms: (S)-Nafadotride tartrate; 2-Naphthalenecarboxamide tartrate
• Molecular Formula: C₂₆H₃₃N₃O₈
• Molecular Weight: 515.56
• CAS Registry Number: 173429-65-7
• SMILES: O=C(O)[C@@H](O)[C@H](O)C(=O)O.N#Cc1cc(c(OC)c2c1cccc2)C(=O)NC[C@H]3N(CCCC)CCC3
• InChI: 1S/C22H27N3O2.C4H6O6/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2;5-1(3(7)8)2(6)4(9)10/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26);1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m00/s1
• InChIKey: WOPHJTZRFZTRKU-FJMPKIMZSA-N

Properties

• Boiling point: 760.1°C at 760 mmHg (Cal.)
• Flash point: 413.5°C (Cal.)
• Refractive index: (Cal.)