Pterorhodin
[CAS# 6538-79-0]

Identification

• Name: Pterorhodin
• Synonyms: 2-Amino-7-[(Z)-(2-Amino-4,6-Diketo-5,8-Dihydro-1H-Pteridin-7-Ylidene)Methyl]-1,5-Dihydropteridine-4,6-Quinone; 4,6-Pteridinedione, 2-Amino-7-((2-Amino-1,4,5,6-Tetrahydro-4,6-Dioxo-7-Pteridinyl)Methylene)-1,5,7,8-Tetrahydro-; Pterorhodin
• Molecular Formula: C₁₃H₁₀N₁₀O₄
• Molecular Weight: 370.29
• CAS Registry Number: 6538-79-0
• SMILES: O=C1NC4=C(N=C1/C=C/2NC3=C(NC2=O)C(=O)N=C(N3)N)NC(=NC4=O)N
• InChI: 1S/C13H10N10O4/c14-12-20-6-4(10(26)22-12)18-8(24)2(16-6)1-3-9(25)19-5-7(17-3)21-13(15)23-11(5)27/h1H,(H,18,24)(H,19,25)(H3,14,16,20,22,26)(H4,15,17,21,23,27)/b3-1-
• InChIKey: STEFGLSLWLJVLH-IWQZZHSRSA-N

Properties

• Density: 2.5g/cm³ (Cal.)