Hematoporphyrin

CAS Registry Number®

14459-29-1

CAS Name

Hematoporphyrin

Molecular Formula

C34H38N4O6

Molecular Mass

598.69

Cite this Page

Hematoporphyrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14459-29-1 (retrieved 2024-11-22) (CAS RN: 14459-29-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C34H38N4O6/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/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11-,24-12-,25-11?,26-13-,27-14?,28-14-,29-12?,30-13?

InChIKey

InChIKey=UJKPHYRXOLRVJJ-CAKLIFEZSA-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(C)O)=C5C)C(C(C)O)=C4C

Canonical SMILES

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

Other Names for this Substance

  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-
  • 2,18-Porphinedipropionic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-
  • Hematoporphyrin IX
  • 7,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid
  • Hematoporphyrin

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Deleted or Replaced CAS Registry Numbers

553-11-7, 19710-66-8, 20098-28-6, 47852-79-9, 119546-75-7, 127160-44-5, 142168-20-5, 221889-19-6, 227474-98-8, 343862-38-4, 885267-30-1, 1201812-91-0, 1337567-66-4

CAS INSIGHTSTM
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