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Substance Name: 5-Methoxypsoralen
RN: 484-20-8
UNII: 4FVK84C92X
InChIKey: BGEBZHIAGXMEMV-UHFFFAOYSA-N

Note

  • Main heading METHOXSALEN refers to 8-methoxypsoralen.

Molecular Formula

  • C12-H8-O4

Molecular Weight

  • 216.1912
 

Classification Codes

Classification Codes

  • Dermatologic Agents
  • Mutation Data
  • Natural Product
  • Photosensitizing Agents
  • Radiation-Sensitizing Agents
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 2A
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Names and Synonyms

Name of Substance

  • 5-Methoxypsoralen

Synonyms

  • 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
  • 5-19-06-00004 (Beilstein Handbook Reference)
  • 5-Methoxy psoralen
  • 5-Methoxy-6,7-furanocoumarin
  • 5-Methoxypsoralen
  • 5-Mop
  • 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone
  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-
  • Bergapten
  • Bergaptene
  • BRN 0019560
  • CCRIS 4348
  • EINECS 207-604-5
  • Heraclin
  • HSDB 3466
  • Majudin
  • NSC 95437
  • Psoraderm
  • UNII-4FVK84C92X

Systematic Names

  • 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-
  • Bergapten

Superlist Names

  • 5-Methoxypsoralen
  • 5-Methoxypsoralen with ultraviolet A therapy

Registry Numbers

CAS Registry Number

  • 484-20-8

FDA UNII

  • 4FVK84C92X

System Generated Number

  • 0000484208

Structure Descriptors

InChI

1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3

InChIKey

BGEBZHIAGXMEMV-UHFFFAOYSA-N

Smiles

COc1c2ccc(=O)oc2cc3c1cco3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 9gm/kg (9000mg/kg)   "Psoralens in Cosmetics and Dermatology, Proceedings of the International Symposium, Paris, 1981," Cahn, J., et al., eds., Paris, Pergamon Press France, 1981Vol. -, Pg. 303, 1981.
mouse LD50 oral 8100mg/kg (8100mg/kg)   "Psoralens in Cosmetics and Dermatology, Proceedings of the International Symposium, Paris, 1981," Cahn, J., et al., eds., Paris, Pergamon Press France, 1981Vol. -, Pg. 303, 1981.
rat LD50 oral > 30gm/kg (30000mg/kg)   "Psoralens in Cosmetics and Dermatology, Proceedings of the International Symposium, Paris, 1981," Cahn, J., et al., eds., Paris, Pergamon Press France, 1981Vol. -, Pg. 303, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 188 deg C   EXP
log P (octanol-water) 2.140 (none)   EST
Atmospheric OH Rate Constant 1.06E-10 cm3/molecule-sec 25 EST

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