5-(1,3-Benzodioxol-5-Ylmethyl)-2-[2-[(5-Methyl-1H-Imidazol-4-Yl)Methylsulfanyl]Ethylamino]-3H-Pyrimidin-4-One Dihydrochloride
[CAS# 72830-39-8]

Identification

• Name: 5-(1,3-Benzodioxol-5-Ylmethyl)-2-[2-[(5-Methyl-1H-Imidazol-4-Yl)Methylsulfanyl]Ethylamino]-3H-Pyrimidin-4-One Dihydrochloride
• Synonyms: 5-(1,3-Benzodioxol-5-Ylmethyl)-2-[2-[(5-Methyl-1H-Imidazol-4-Yl)Methylthio]Ethylamino]-3H-Pyrimidin-4-One Dihydrochloride; Oxmetidine Hydrochloride [Usan]; D05306
• Molecular Formula: C₁₉H₂₃Cl₂N₅O₃S
• Molecular Weight: 472.39
• CAS Registry Number: 72830-39-8 (63204-23-9)
• EINECS: 276-926-6
• SMILES: N1C(=O)C(=CN=C1NCCSCC2=C([NH]C=N2)C)CC4=CC3=C(OCO3)C=C4.[H+].[H+].[Cl-].[Cl-]
• InChI: 1S/C19H21N5O3S.2ClH/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16;;/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25);2*1H
• InChIKey: RBNMEHBTDUJJJM-UHFFFAOYSA-N

Properties

• Boiling point: 697.3°C at 760 mmHg (Cal.)
• Flash point: 375.5°C (Cal.)