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Substance Name: 3-Chloro-2,5,6-trimethylbenzoate
RN: 18354-25-1
InChIKey: JRLXGVKKZQHJAX-UHFFFAOYSA-N

Note

  • Antidote in organophosphate intoxication.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-Cl-O2

Molecular Weight

  • 198.648
 
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Names and Synonyms

Name of Substance

  • 3-Chloro-2,5,6-trimethylbenzoate

Synonyms

  • 3-Chloro-2,5,6-trimethylbenzoic acid
  • BRN 2446642
  • U 23223

Systematic Name

  • Benzoic acid, 3-chloro-2,5,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 18354-25-1

Related Registry Number

  • 38149-23-4 (hydrochloride salt)

System Generated Number

  • 0018354251

Structure Descriptors

InChI

1S/C10H11ClO2/c1-5-4-8(11)7(3)9(6(5)2)10(12)13/h4H,1-3H3,(H,12,13)

InChIKey

JRLXGVKKZQHJAX-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1C)Cl)C)C)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07068,