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Substance Name: 5,5'-Terephthaloyldi(oxytryptamine) diacetate
RN: 52671-02-0
InChIKey: HBYZZMAPPKSXPF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H26-N4-O4.2C2-H4-O2

Molecular Weight

  • 602.6406
 
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Names and Synonyms

Results Name

  • 5,5'-Terephthaloyldi(oxytryptamine) diacetate

Synonyms

  • 5,5'-Terephthaloyldi(oxytryptamine) diacetate
  • Terephthalic acid, bis(3-(2-aminoethyl)-5-indolyl) ester, diacetate

Systematic Name

  • Terephthalic acid, compd. with 3-(2-aminoethyl)indol-5-ol and acetate (1:2:2)

Registry Numbers

CAS Registry Number

  • 52671-02-0

System Generated Number

  • 0052671020

Molecular Formulas

Molecular Formula

  • C28-H26-N4-O4.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C28-H26-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H26N4O4.2C2H4O2/c29-11-9-19-15-31-25-7-5-21(13-23(19)25)35-27(33)17-1-2-18(4-3-17)28(34)36-22-6-8-26-24(14-22)20(10-12-30)16-32-26;2*1-2(3)4/h1-8,13-16,31-32H,9-12,29-30H2;2*1H3,(H,3,4)

InChIKey

HBYZZMAPPKSXPF-UHFFFAOYSA-N

Smiles

CC(=O)O.CC(=O)O.c1cc(ccc1C(=O)Oc2ccc3c(c2)c(c[nH]3)CCN)C(=O)Oc4ccc5c(c4)c(c[nH]5)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 148mg/kg (148mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Pharmaceutical Chemistry Journal Vol. 9, Pg. 437, 1975.