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Substance Name: Acetic acid, ((p-chlorophenyl)sulfonyl)-, compd. with 2-(diethylamino)ethanol (1:1)
RN: 102582-97-8
InChIKey: MMXGDPZBRLJGSV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Cl-O4-S.C6-H15-N-O

Molecular Weight

  • 351.8488
 
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Names and Synonyms

Synonyms

  • ((p-Chlorophenyl)sulfonyl)acetic acid compd. with 2-(diethylamino)ethanol (1:1)
  • ((p-Chlorophenyl)sulfonyl)acetic acid diethylaminoethanol

Systematic Name

  • Acetic acid, ((p-chlorophenyl)sulfonyl)-, compd. with 2-(diethylamino)ethanol (1:1)

Registry Numbers

CAS Registry Number

  • 102582-97-8

System Generated Number

  • 0102582978

Molecular Formulas

Molecular Formula

  • C8-H7-Cl-O4-S.C6-H15-N-O

Molecular Formula Fragments

  • C6-H15-N-O
  • C8-H7-Cl-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H7ClO4S.C6H15NO/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11;1-3-7(4-2)5-6-8/h1-4H,5H2,(H,10,11);8H,3-6H2,1-2H3

InChIKey

MMXGDPZBRLJGSV-UHFFFAOYSA-N

Smiles

CCN(CC)CCO.c1cc(ccc1S(=O)(=O)CC(=O)O)Cl

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.