Icotidine
[CAS# 93376-90-0]

Identification

• Name: Icotidine
• Synonyms: 2-[4-(3-Methoxy-2-Pyridyl)Butylamino]-5-[(6-Methyl-3-Pyridyl)Methyl]-3H-Pyrimidin-4-One Trihydrochloride; 4(1H)-Pyrimidinone, 2-((4-(3-Methoxy-2-Pyridinyl)Butyl)Amino)-5-((6-Methyl-3-Pyridinyl)Methyl)-, Trihydrochloride; Skf 93319
• Molecular Formula: C₂₁H₂₈Cl₃N₅O₂
• Molecular Weight: 488.84
• CAS Registry Number: 93376-90-0
• SMILES: N2C(=NC=C(CC1=CN=C(C=C1)C)C2=O)NCCCCC3=C(OC)C=CC=N3.[H+].[H+].[H+].[Cl-].[Cl-].[Cl-]
• InChI: 1S/C21H25N5O2.3ClH/c1-15-8-9-16(13-24-15)12-17-14-25-21(26-20(17)27)23-10-4-3-6-18-19(28-2)7-5-11-22-18;;;/h5,7-9,11,13-14H,3-4,6,10,12H2,1-2H3,(H2,23,25,26,27);3*1H
• InChIKey: NFXGPXPZKQLGKZ-UHFFFAOYSA-N

Properties

• Boiling point: 628.9°C at 760 mmHg (Cal.)
• Flash point: 334.1°C (Cal.)