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Substance Name: Benzalphthalide
RN: 575-61-1
UNII: N2S40871LM
InChIKey: YRTPZXMEBGTPLM-GXDHUFHOSA-N

Note

  • Contaminant of phenindione tablets considered as potentially immunogenic substance.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H10-O2

Molecular Weight

  • 222.242
 
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Names and Synonyms

Name of Substance

  • 1(3H)-Isobenzofuranane, 3-(phenylmethylene)-
  • 3-(Phenylmethylene)-1(3H)-isobenzofuranone
  • Benzalphthalide
  • Benzylidenephthalide

Synonyms

  • 1(3H)-Isobenzofuranone, 3-(phenylmethylene)-
  • 3-Benzalphthalide
  • 3-Benzylidenephthalide
  • 5-17-10-00577 (Beilstein Handbook Reference)
  • AI3-17979
  • Benzalphthalide
  • Benzylidenephthalide
  • BRN 0083797
  • EC 209-388-8
  • EINECS 209-388-8
  • Escalol 547
  • NSC 2824
  • UNII-N2S40871LM

Systematic Names

  • 1(3H)-Isobenzofuranone, 3-(phenylmethylene)- (9CI)
  • 3-Benzylidenephthalide
  • Phthalide, 3-benzylidene-

Registry Numbers

CAS Registry Number

  • 575-61-1

FDA UNII

  • N2S40871LM

System Generated Number

  • 0000575611

Structure Descriptors

InChI

1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10+

InChIKey

YRTPZXMEBGTPLM-GXDHUFHOSA-N

Smiles

C1(\OC(=O)c2c1cccc2)=C\c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 143, 1953.