4-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propyl}-1H-indole-2-carbonitrile (2E)-2-butenedioate (2:1)
[CAS# 874882-72-1]

Identification

• Name: 4-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propyl}-1H-indole-2-carbonitrile (2E)-2-butenedioate (2:1)
• Synonyms: 4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropyl]-1H-indole-2-carbonitrile hemifumarate salt; S(-)-Cyanopindolol hemifumarate salt; S(−)-Cyanopindolol hemifumarate salt
• Molecular Formula: C₃₆H₄₆N₆O₆
• Molecular Weight: 658.79
• CAS Registry Number: 874882-72-1
• SMILES: O=C(O)\C=C\C(=O)O.N#Cc2cc1c(cccc1n2)C[C@H](O)CNC(C)(C)C.N#Cc2cc1c(cccc1n2)C[C@H](O)CNC(C)(C)C
• InChI: 1S/2C16H21N3O.C4H4O4/c2*1-16(2,3)18-10-13(20)7-11-5-4-6-15-14(11)8-12(9-17)19-15;5-3(6)1-2-4(7)8/h2*4-6,8,13,18-20H,7,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*13-;/m00./s1
• InChIKey: PJMPVRLLSWKHEA-VPLNUPECSA-N

Properties

• Boiling point: 961.9°C at 760 mmHg (Cal.)
• Flash point: 535.5°C (Cal.)
• Refractive index: (Cal.)