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Substance Name: Acetic acid, ((p-chlorophenyl)sulfonyl)-, compd. with 2-amino-1-(p-nitrophenyl)-1,3-propanediol (1:1)
RN: 102606-68-8
InChIKey: BIDTZFTZQKCPQF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Cl-O4-S.C9-H12-N2-O4

Molecular Weight

  • 446.8621
 
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Names and Synonyms

Synonym

  • ((p-Chlorophenyl)sulfonyl)acetic acid compd. with 2-amino-1-(p-nitrophenyl)-1,3-propanediol

Systematic Name

  • Acetic acid, ((p-chlorophenyl)sulfonyl)-, compd. with 2-amino-1-(p-nitrophenyl)-1,3-propanediol (1:1)

Registry Numbers

CAS Registry Number

  • 102606-68-8

System Generated Number

  • 0102606688

Molecular Formulas

Molecular Formula

  • C8-H7-Cl-O4-S.C9-H12-N2-O4

Molecular Formula Fragments

  • C8-H7-Cl-O4-S
  • C9-H12-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C9H12N2O4.C8H7ClO4S/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15;9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4,8-9,12-13H,5,10H2;1-4H,5H2,(H,10,11)

InChIKey

BIDTZFTZQKCPQF-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(C(CO)N)O)[N+](=O)[O-].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.