Mesoporphyrin IX dihydrochloride

CAS Registry Number®

68938-72-7

CAS Name

Mesoporphyrin IX dihydrochloride

Molecular Formula

C34H38N4O4.2ClH

Cite this Page

Mesoporphyrin IX dihydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68938-72-7 (retrieved 2025-02-19) (CAS RN: 68938-72-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H38N4O4.2ClH/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h13-16,35,38H,7-12H2,1-6H3,(H,39,40)(H,41,42);2*1H/b25-13?,26-13-,27-14-,28-15-,29-14?,30-15?,31-16?,32-16-;;

InChIKey

InChIKey=LLAQRSFKJHORNW-CVAGSFOQSA-N

SMILES

C(CC(O)=O)C1=C2C=C3C(CCC(O)=O)=C(C)C(=N3)C=C4NC(=CC5=NC(=CC(N2)=C1C)C(CC)=C5C)C(CC)=C4C.Cl

Canonical SMILES

Cl.O=C(O)CCC=1C=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)O)C(=C4C)CC)C(=C3C)CC)C1C

Other Names for this Substance

  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, hydrochloride (1:2)
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dihydrochloride
  • Mesoporphyrin IX dihydrochloride

CAS INSIGHTSTM
Lithium-ion battery