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Substance Name: p-Cymene-3-carboxylic acid, 2-hydroxy-, trimol. cyclic ester (7CI)
RN: 2281-45-0
InChIKey: KXGZHYZDRUARHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H36-O6

Molecular Weight

  • 528.641
 
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Names and Synonyms

Synonyms

  • 4-19-00-05134 (Beilstein Handbook Reference)
  • BRN 0069768
  • Tricarvocrotide

Systematic Names

  • 6H,12H,18H-Tribenzo(b,f,j)(1,5,9)trioxacyclododecin-6,12,18-trione, 4,10,16-trimethyl-1,7,13-tris(1-methylethyl)-
  • p-Cymene-3-carboxylic acid, 2-hydroxy-, trimol. cyclic ester (7CI)

Registry Numbers

CAS Registry Number

  • 2281-45-0

System Generated Number

  • 0002281450

Structure Descriptors

InChI

1S/C33H36O6/c1-16(2)22-13-10-19(7)28-25(22)31(34)38-29-20(8)11-14-23(17(3)4)26(29)33(36)39-30-21(9)12-15-24(18(5)6)27(30)32(35)37-28/h10-18H,1-9H3

InChIKey

KXGZHYZDRUARHJ-UHFFFAOYSA-N

Smiles

O1c2c(C(Oc3c(C(Oc4c(C1=O)c(ccc4C)C(C)C)=O)c(ccc3C)C(C)C)=O)c(ccc2C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Farmaco, Edizione Scientifica. Vol. 20, Pg. 506, 1965.