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Substance Name: Hematoporphyrin
RN: 14459-29-1
UNII: HBT6M5H379
InChIKey: UJKPHYRXOLRVJJ-AMPAVEGJSA-N

Note

  • Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.

Molecular Formula

  • C34-H38-N4-O6

Molecular Weight

  • 598.6962
 

Classification Codes

  • Dermatologic Agents
  • Drug / Therapeutic Agent
  • Mutation Data
  • Photosensitizing Agents
  • Radiation-Sensitizing Agents
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Names and Synonyms

Name of Substance

  • Hematoporphyrin

MeSH Heading

  • Hematoporphyrins

Synonyms

  • 1,3,5,8-Tetramethyl-2,4-bis(alpha-hydroxyethyl)prophine-6,7-dipropionic acid
  • 2,4-Bis(1-hydroxyethyl)-1,3,5,8-tetramethyl-5,7-porphindipropionsaeure
  • 7,12-Bis(1-hydroxyethyl)-2,8,13,17-tetramethyl-21H,23H-porphin-2,18-dipropionsaeure
  • 7,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid
  • BRN 0078957
  • EINECS 238-450-7
  • Hematoporphyrin
  • Hematoporphyrin I
  • Hematoporphyrin IX (6CI)
  • HP
  • HP (VAN)
  • NSC 267084
  • NSC 59265
  • Photodyn
  • UNII-HBT6M5H379

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 14459-29-1

FDA UNII

  • HBT6M5H379

Other Registry Numbers

  • 19710-66-8
  • 553-11-7

System Generated Number

  • 0014459291

Structure Descriptors

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

UJKPHYRXOLRVJJ-AMPAVEGJSA-N

Smiles

CC(O)c1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C(=C5CCC(=O)O)C)c(CCC(=O)O)c4C)c(C)c3C(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 307mg/kg (307mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 57, Pg. 219, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 172.5 deg C   EXP
log P (octanol-water) 6.450 (none)   EST
Atmospheric OH Rate Constant 2.40E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.