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Substance Name: Hematoporphyrin dihydrochloride
RN: 17696-69-4
UNII: O535A6S0T2
InChIKey: QCLJGYHFHNRFIL-UDHHKLSBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H38-N4-O6.2Cl-H

Molecular Weight

  • 671.618
 
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Names and Synonyms

Results Name

  • Hematoporphyrin dihydrochloride

Name of Substance

  • Hematoporphyrin dihydrochloride

Synonyms

  • 21H,23H-Porphine-2,18-propanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, 2HCl
  • 7,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphinedipropionic acid 2HCl
  • Acido 1,3,5,8-tetrametil-2,4-bis(idrossietil)porpfina-6,7-dipropionico dicloridrato
  • Apiabasilon
  • EINECS 241-699-4
  • Ematoporfirina
  • Ematoporfirina [Italian]
  • Hematoporphyrin dichydrochloride
  • Hematoporphyrin dihydrochloride
  • Hematoporphyrin HCl
  • Hematoporphyrin IX dihydrochloride
  • UNII-O535A6S0T2
  • Vitamorell

Systematic Names

  • 2,18-Porphinedipropionic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochloride
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochloride
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, hydrochloride (1:2)
  • Haematoporphyrin dihydrochloride

Registry Numbers

CAS Registry Number

  • 17696-69-4

FDA UNII

  • O535A6S0T2

Other Registry Numbers

  • 20456-06-8
  • 50894-54-7
  • 5256-78-0
  • 670-69-9

System Generated Number

  • 0017696694

Molecular Formulas

Molecular Formula

  • C34-H38-N4-O6.2Cl-H

Molecular Formula Fragments

  • C34-H38-N4-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H38N4O6.2ClH/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);2*1H/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;;

InChIKey

QCLJGYHFHNRFIL-UDHHKLSBSA-N

Smiles

n1c2C(=C(c1cc1c(c([C@@H](C)O)c(cc3C(=C([C@@H](C)O)c(n3)cc3c(C)c(CCC(O)=O)c([nH]3)c2)C)[nH]1)C)C)CCC(O)=O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 169mg/kg (169mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Bollettino Chimico Farmaceutico. Vol. 117, Pg. 145, 1978.
mouse LD50 oral > 1300mg/kg (1300mg/kg)   Bollettino Chimico Farmaceutico. Vol. 117, Pg. 145, 1978.
rat LD50 intraperitoneal 278mg/kg (278mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: TREMOR
Bollettino Chimico Farmaceutico. Vol. 117, Pg. 145, 1978.
rat LD50 oral > 3gm/kg (3000mg/kg)   Bollettino Chimico Farmaceutico. Vol. 117, Pg. 145, 1978.