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Substance Name: Acetic acid, (p-tolylsulfonyl)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
RN: 102582-89-8
InChIKey: ZVSSXYVNOYLDJR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-O4-S.C6-H15-N-O6

Molecular Weight

  • 363.4285
 
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Names and Synonyms

Synonyms

  • (4-Methylphenylsulfonyl)acetic acid triethanolamine
  • (p-Tolylsulfonyl)acetic acid compd. with 2,2',2''-nitrilotrisethanol (1:1)
  • Acetic acid, ((4-methylphenyl)sulfonyl)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Systematic Name

  • Acetic acid, (p-tolylsulfonyl)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)

Registry Numbers

CAS Registry Number

  • 102582-89-8

System Generated Number

  • 0102582898

Molecular Formulas

Molecular Formula

  • C9-H10-O4-S.C6-H15-N-O6

Molecular Formula Fragments

  • C6-H15-N-O6
  • C9-H10-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H10O4S.C6H15NO3/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11;8-4-1-7(2-5-9)3-6-10/h2-5H,6H2,1H3,(H,10,11);8-10H,1-6H2

InChIKey

ZVSSXYVNOYLDJR-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)CC(=O)O.C(CO)N(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 900mg/kg (900mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 20, Pg. 291, 1986.