Mersalyl
[CAS# 15375-94-7]

Identification

• Name: Mersalyl
• Synonyms: Hematoporphyrin, Mercury(Ii) Deriv., Disodium Salt; Hematoporphyrinmercury Disodium Salt; Hg-Hematoporphyrin-Na
• Molecular Formula: C₃₄H₃₄HgN₄Na₂O₆
• Molecular Weight: 841.24
• CAS Registry Number: 15375-94-7
• SMILES: [N-]1C2=C(C(=C1C=C5[N-]C(=CC4=NC(=CC3=NC(=C2)C(=C3CCC([O-])=O)C)C(=C4C)CCC([O-])=O)C(=C5C(O)C)C)C)C(O)C.[Na+].[Na+].[Hg++]
• InChI: 1S/C34H38N4O6.Hg.2Na/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;;;/h11-14,19-20,39-40H,7-10H2,1-6H3,(H4,35,36,37,38,41,42,43,44);;;/q;+2;2*+1/p-4
• InChIKey: MSWKATKSSLJVEX-UHFFFAOYSA-J

Properties

• Boiling point: 1180.2°C at 760 mmHg (Cal.)
• Flash point: 667.6°C (Cal.)