Triaminicin
[CAS# 138331-08-5]

Identification

• Name: Triaminicin
• Synonyms: 2-Acetoxybenzoic Acid; (1S,2R)-2-Amino-1-Phenyl-Propan-1-Ol; But-2-Enedioic Acid; 3-[6-(4-Chlorophenyl)-2-Pyridyl]-N,N-Dimethyl-Propan-1-Amine; 1,3,7-Trimethylpurine-2,6-Dione; Hydrochloride
• Molecular Formula: C₄₆H₅₅Cl₂N₇O₁₁
• Molecular Weight: 952.89
• CAS Registry Number: 138331-08-5
• SMILES: N2(C1=C([N](C=N1)C)C(=O)N(C2=O)C)C.[C@@H](O)([C@H](N)C)C3=CC=CC=C3.C(=C\C(O)=O)/C(O)=O.C4=CC=C(N=C4CCCN(C)C)C5=CC=C(Cl)C=C5.[Cl-].O=C(O)C6=CC=CC=C6OC(=O)C
• InChI: 1S/C16H19ClN2.C9H13NO.C9H8O4.C8H10N4O2.C4H4O4.ClH/c1-19(2)12-4-6-15-5-3-7-16(18-15)13-8-10-14(17)11-9-13;1-7(10)9(11)8-5-3-2-4-6-8;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;5-3(6)1-2-4(7)8;/h3,5,7-11H,4,6,12H2,1-2H3;2-7,9,11H,10H2,1H3;2-5H,1H3,(H,11,12);4H,1-3H3;1-2H,(H,5,6)(H,7,8);1H/b;;;;2-1+;/t;7-,9-;;;;/m.1..../s1
• InChIKey: PZKWPXFPZCOXJU-JPTOCXKKSA-N