Deuteroporphyrin IX dihydrochloride

CAS Registry Number®

68929-05-5
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CAS Name

Deuteroporphyrin IX dihydrochloride

Molecular Formula

C30H30N4O4.2ClH

Cite this Page

Deuteroporphyrin IX dihydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68929-05-5 (retrieved 2024-05-17) (CAS RN: 68929-05-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H30N4O4.2ClH/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;;/h9-14,31,34H,5-8H2,1-4H3,(H,35,36)(H,37,38);2*1H/b19-11-,20-12?,23-11?,24-13?,25-12-,26-13-,27-14?,28-14-;;

InChIKey

InChIKey=CRUCDRBIKFXOMR-YJKKSLNZSA-N

SMILES

C(CC(O)=O)C1=C2C=C3C(CCC(O)=O)=C(C)C(=N3)C=C4NC(=CC5=NC(=CC(N2)=C1C)C(C)=C5)C(C)=C4.Cl

Canonical SMILES

Cl.O=C(O)CCC=1C=2N=C(C=C3C=C(C(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)O)C(=C4)C)N3)C)C1C

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

1442114-37-5

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