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Substance Name: Trioxsalen [USAN:USP]
RN: 3902-71-4
UNII: Y6UY8OV51T
InChIKey: FMHHVULEAZTJMA-UHFFFAOYSA-N

Note

  • Pigmenting photosensitizing agent obtained from several plants, mainly Psoralea corylifolia. It is administered either topically or orally in conjunction with ultraviolet light in the treatment of vitiligo.

Molecular Formula

  • C14-H12-O3

Molecular Weight

  • 228.2458
 

Classification Codes

Classification Codes

  • Dermatologic Agents
  • Mutation Data
  • Photosensitizing Agents
  • Pigmentation Agent
  • Radiation-Sensitizing Agents
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Trioxsalen
  • Trioxsalen [USAN:USP]
  • Trioxysalen [INN]

MeSH Heading

  • Trioxsalen

Synonyms

  • 2',4,8-Trimethylpsoralen
  • 2,5,9-Trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one
  • 2,5,9-Trimethylpsoralen
  • 4,5',8-Trimethylpsoralen
  • 4,5',8-Trimethylpsoralene
  • 5-19-04-00472 (Beilstein Handbook Reference)
  • 6-Hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic acid gamma-lactone
  • 7-Oxo-2,5,9-Trimethyl-7H-furo(3,2-g)(1)benzopyron
  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,5,9-trimethyl-
  • BRN 0221723
  • EINECS 223-459-0
  • Elder 8011
  • NSC 71047
  • NSC-71047
  • Trimethylpsoralen
  • Trioxisaleno
  • Trioxisaleno [INN-Spanish]
  • Trioxsalen
  • Trioxysalen
  • Trioxysalene
  • Trioxysalene [INN-French]
  • Trioxysalenum
  • Trioxysalenum [INN-Latin]
  • Trisoralen
  • UNII-Y6UY8OV51T

Systematic Names

  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,5,9-trimethyl-
  • Trioxysalen

Superlist Name

  • 4,5',8-Trimethylpsoralen

Registry Numbers

CAS Registry Number

  • 3902-71-4

FDA UNII

  • Y6UY8OV51T

System Generated Number

  • 0003902714

Structure Descriptors

InChI

1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3

InChIKey

FMHHVULEAZTJMA-UHFFFAOYSA-N

Smiles

Cc1cc(=O)oc2c1cc3cc(oc3c2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Drugs in Japan Vol. -, Pg. 740, 1990.
mouse LD50 oral > 7gm/kg (7000mg/kg)   Drugs in Japan Vol. 6, Pg. 520, 1982.
mouse LD50 subcutaneous > 4gm/kg (4000mg/kg)   Drugs in Japan Vol. -, Pg. 740, 1990.
rat LD50 oral > 22gm/kg (22000mg/kg)   Drugs in Japan Vol. 6, Pg. 520, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 234.5 deg C   EXP
log P (octanol-water) 3.700 (none)   EST
Atmospheric OH Rate Constant 1.29E-10 cm3/molecule-sec 25 EST

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