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Substance Name: Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide
RN: 3686-72-4
InChIKey: NTOUTGFXPUCTLK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-Cl2-N-O5-S

Molecular Weight

  • 416.28
 
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Names and Synonyms

Synonyms

  • BRN 2678614
  • M & B 6233
  • p-(Methylsulfonyl)benzoic acid ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide

Systematic Name

  • Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide

Registry Numbers

CAS Registry Number

  • 3686-72-4

System Generated Number

  • 0003686724

Structure Descriptors

InChI

1S/C17H15Cl2NO5S/c1-20(16(21)15(18)19)12-5-7-13(8-6-12)25-17(22)11-3-9-14(10-4-11)26(2,23)24/h3-10,15H,1-2H3

InChIKey

NTOUTGFXPUCTLK-UHFFFAOYSA-N

Smiles

c1(OC(c2ccc(S(C)(=O)=O)cc2)=O)ccc(N(C(C(Cl)Cl)=O)C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4gm/kg (4000mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 128, 1962.