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Substance Name: Terephthalamic acid, N-((2,3-dihydrobenzimidazo(1,2-b)oxazol-2-yl)methyl)-, potassium salt, hemihydrate
RN: 102339-07-1
InChIKey: YXPGTERQVNMKPY-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-N3-O4.K.1/2H2-O

Molecular Weight

  • 768.862
 
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Names and Synonyms

  • Terephthalamic acid, N-((2,3-dihydrobenzimidazo(1,2-b)oxazol-2-yl)methyl)-, potassium salt, hemihydrate

Registry Numbers

CAS Registry Number

  • 102339-07-1

System Generated Number

  • 0102339071

Molecular Formulas

Molecular Formula

  • C18-H14-N3-O4.K.1/2H2-O

Molecular Formula Fragments

  • C18-H14-N3-O4
  • COMPONENT
  • H2-O
  • K

Structure Descriptors

InChI

1S/2C18H15N3O4.2K.H2O/c2*22-16(11-5-7-12(8-6-11)17(23)24)19-9-13-10-21-15-4-2-1-3-14(15)20-18(21)25-13;;;/h2*1-8,13H,9-10H2,(H,19,22)(H,23,24);;;1H2/q;;2*+1;/p-2

InChIKey

YXPGTERQVNMKPY-UHFFFAOYSA-L

Smiles

c1ccc2c(c1)nc3n2CC(O3)CNC(=O)c4ccc(cc4)C(=O)[O-].c1ccc2c(c1)nc3n2CC(O3)CNC(=O)c4ccc(cc4)C(=O)[O-].O.[K+].[K+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Farmaco, Edizione Scientifica. Vol. 36, Pg. 449, 1981.