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Substance Name: 4-Amino-3,5-dichlorobenzoic acid
RN: 56961-25-2
UNII: BIK7NS3B2F
InChIKey: UHXYYTSWBYTDPD-UHFFFAOYSA-N

Note

  • A clenbuterol metabolite.

Molecular Formula

  • C7-H5-Cl2-N-O2

Molecular Weight

  • 206.027
 
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Names and Synonyms

Name of Substance

  • 4-Amino-3,5-dichlorobenzoic acid

Synonyms

  • 4-14-00-01279 (Beilstein Handbook Reference)
  • 4-Amino-3,5-dichlorobenzoic acid
  • AI3-33338
  • BRN 2805751
  • EINECS 260-468-9
  • NAB-930
  • UNII-BIK7NS3B2F

Systematic Names

  • 4-Amino-3,5-dichlorobenzoic acid
  • Benzoic acid, 4-amino-3,5-dichloro-

Registry Numbers

CAS Registry Number

  • 56961-25-2

FDA UNII

  • BIK7NS3B2F

System Generated Number

  • 0056961252

Structure Descriptors

InChI

1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)

InChIKey

UHXYYTSWBYTDPD-UHFFFAOYSA-N

Smiles

c1(cc(c(N)c(c1)Cl)Cl)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4618mg/kg (4618mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 741, 1984.