[R-(R*,S*)]-3,7-Dihydro-7-[2-[(2-Hydroxy-1-Methyl-2-Phenylethyl)Amino]Ethyl]-1,3-Dimethyl-1H-Purine-2,6-Dione Monohydrochloride
[CAS# 3039-97-2]

Identification

• Name: [R-(R*,S*)]-3,7-Dihydro-7-[2-[(2-Hydroxy-1-Methyl-2-Phenylethyl)Amino]Ethyl]-1,3-Dimethyl-1H-Purine-2,6-Dione Monohydrochloride
• Synonyms: 7-[2-[[(1S,2R)-2-Hydroxy-1-Methyl-2-Phenyl-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione Hydrochloride; 7-[2-[[(1S,2R)-2-Hydroxy-1-Methyl-2-Phenylethyl]Amino]Ethyl]-1,3-Dimethylpurine-2,6-Dione Hydrochloride; 7-[2-[[(1S,2R)-2-Hydroxy-1-Methyl-2-Phenyl-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Xanthine Hydrochloride
• Molecular Formula: C₁₈H₂₄ClN₅O₃
• Molecular Weight: 393.87
• CAS Registry Number: 3039-97-2
• EINECS: 221-243-0
• SMILES: [C@@H](NCC[N]2C1=C(N(C(=O)N(C1=O)C)C)N=C2)([C@H](O)C3=CC=CC=C3)C.[H+].[Cl-]
• InChI: 1S/C18H23N5O3.ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;1H/t12-,15-;/m0./s1
• InChIKey: UTTZHZDGHMJDPM-NXCSSKFKSA-N

Properties

• Boiling point: 591.6°C at 760 mmHg (Cal.)
• Flash point: 311.6°C (Cal.)