Salsocain
[CAS# 85886-25-5]

Identification

• Name: Salsocain
• Synonyms: Benzoic acid, 2-hydroxy-, monosodium salt, mixt. with 2-(diethylamino)ethyl-4-aminobenzoate monohydrochloride, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, 5,5-di-2-propenyl-2,4,6(1H,3H,5H)-pyrimidinetrione and sodium ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulfonate; Salsocain
• Molecular Formula: C₅₁H₆₄ClN₁₁Na₂O₁₄S
• Molecular Weight: 1168.62
• CAS Registry Number: 85886-25-5
• SMILES: [Na+].[Na+].Cl.O=C(OCCN(CC)CC)c1ccc(N)cc1.[O-]C(=O)c1ccccc1O.O=C1NC(=O)NC(=O)C1(C\C=C)C\C=C.[O-]S(=O)(=O)CN(C=2C(=O)N(c1ccccc1)N(C=2C)C)C.O=C2N(c1ncn(c1C(=O)N2C)C)C
• InChI: 1S/C13H17N3O4S.C13H20N2O2.C10H12N2O3.C8H10N4O2.C7H6O3.ClH.2Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-6-4-2-1-3-5(6)7(9)10;;;/h4-8H,9H2,1-3H3,(H,18,19,20);5-8H,3-4,9-10,14H2,1-2H3;3-4H,1-2,5-6H2,(H2,11,12,13,14,15);4H,1-3H3;1-4,8H,(H,9,10);1H;;/q;;;;;;2*+1/p-2
• InChIKey: XMSCOBJUBKJSTR-UHFFFAOYSA-L