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Substance Name: Benzanthronyl
RN: 116-90-5
UNII: A7IH8DH3K5
InChIKey: FEQOTXWZPMPKGW-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C34-H18-O2

Molecular Weight

  • 458.514
 
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Names and Synonyms

Name of Substance

  • Benzanthronyl

Synonyms

  • (4,4'-Bi-7H-benz(de)anthracene)-7,7'-dione
  • 4,4'-Di-7H-benz(de)anthracen-7-one
  • 4,4'-Dibenzanthronil
  • 4,4'-Dibenzanthronyl
  • 4-07-00-02746 (Beilstein Handbook Reference)
  • 7H-Benz(de)anthracen-7-one, 4,4'-di-
  • Benzanthronyl
  • BRN 2024432
  • Dibenzonyl
  • EINECS 204-164-6
  • NSC 13989
  • UNII-A7IH8DH3K5

Systematic Names

  • (4,4'-Bi-7H-benz(de)anthracene)-7,7'-dione
  • 7H-Benz(de)anthracen-7-one, 4,4'-di-

Superlist Name

  • 4,4'-Dibenzanthronyl

Registry Numbers

CAS Registry Number

  • 116-90-5

FDA UNII

  • A7IH8DH3K5

System Generated Number

  • 0000116905

Structure Descriptors

InChI

1S/C34H18O2/c35-33-27-9-3-1-7-19(27)23-11-5-13-25-21(15-17-29(33)31(23)25)22-16-18-30-32-24(12-6-14-26(22)32)20-8-2-4-10-28(20)34(30)36/h1-18H

InChIKey

FEQOTXWZPMPKGW-UHFFFAOYSA-N

Smiles

c12c3c(c4c5c6c(c7c(cccc7)C(c6cc4)=O)ccc5)ccc2C(=O)c2c(c1ccc3)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1100mg/kg (1100mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 137, 1977.
rat LD50 intraperitoneal 2400mg/kg (2400mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 137, 1977.