Zinc Hematoporphyrin
[CAS# 13939-11-2]

Identification

• Name: Zinc Hematoporphyrin
• Synonyms: Zinc Porphyrin; Zincate(2-), (7,12-Bis(1-Hydroxyethyl)-3,8,13,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoato(4-)-N21,N22,N23,N24)-, Dihydrogen, (Sp-4-2)-; Nsc 267087
• Molecular Formula: C₃₄H₃₆N₄O₆Zn
• Molecular Weight: 662.06
• CAS Registry Number: 13939-11-2
• SMILES: [N-]3C4=CC5=NC(=CC1=C(C(=C([N-]1)C=C2N=C(C(=C2C)C(O)C)C=C3C(=C4C(O)C)C)C)CCC([O-])=O)C(=C5C)CCC([O-])=O.[H+].[H+].[Zn++]
• InChI: 1S/C34H38N4O6.Zn/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/p-2
• InChIKey: IFCVUNYQIFCACE-UHFFFAOYSA-L

Properties

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