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Substance Name: Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)
RN: 105892-18-0
InChIKey: PHGRMMVCLZDVJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N-O4-S.C2-H7-N-O

Molecular Weight

  • 274.296
 
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Names and Synonyms

Synonym

  • ((4-Nitrophenyl)thio)acetic acid 2-aminoethanol (1:1)

Systematic Name

  • Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)

Registry Numbers

CAS Registry Number

  • 105892-18-0

System Generated Number

  • 0105892180

Molecular Formulas

Molecular Formula

  • C8-H7-N-O4-S.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C8-H7-N-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H7NO4S.C2H7NO/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13;3-1-2-4/h1-4H,5H2,(H,10,11);4H,1-3H2

InChIKey

PHGRMMVCLZDVJI-UHFFFAOYSA-N

Smiles

c1(ccc(SCC(=O)[O-])cc1)[N+](=O)[O-].C(C[NH3+])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 180, 1986.