Netropsin Sulfate
[CAS# 6018-79-7]

Identification

• Name: Netropsin Sulfate
• Synonyms: 4-[[4-[(1-Amino-2-Guanidino-Ethylidene)Amino]-1-Methyl-Pyrrole-2-Carbonyl]Amino]-N-(3-Amino-3-Oxo-Propyl)-1-Methyl-Pyrrole-2-Carboxamide; Sulfuric Acid; 4-[[[4-[(1-Amino-2-Guanidinoethylidene)Amino]-1-Methyl-2-Pyrrolyl]-Oxomethyl]Amino]-N-(3-Amino-3-Oxopropyl)-1-Methyl-2-Pyrrolecarboxamide; Sulfuric Acid; 4-[[4-[(1-Amino-2-Guanidino-Ethylidene)Amino]-1-Methyl-Pyrrole-2-Carbonyl]Amino]-N-(3-Amino-3-Keto-Propyl)-1-Methyl-Pyrrole-2-Carboxamide; Sulfuric Acid
• Molecular Formula: C₁₈H₂₈N₁₀O₇S
• Molecular Weight: 528.54
• CAS Registry Number: 6018-79-7
• SMILES: O=[S](O)(O)=O.C1=C([N](C=C1NC(=O)C2=CC(=C[N]2C)N=C(N)CN=C(N)N)C)C(=O)NCCC(=O)N
• InChI: 1S/C18H26N10O3.H2O4S/c1-27-9-11(6-12(27)16(30)23-4-3-15(20)29)26-17(31)13-5-10(8-28(13)2)25-14(19)7-24-18(21)22;1-5(2,3)4/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,25)(H2,20,29)(H,23,30)(H,26,31)(H4,21,22,24);(H2,1,2,3,4)
• InChIKey: PEVNGIYUGMIJMC-UHFFFAOYSA-N

Properties

• Boiling point: 846.6°C at 760 mmHg (Cal.)
• Flash point: 465.8°C (Cal.)