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Substance Name: Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate
RN: 111910-09-9
InChIKey: NLQKWPVQNPKPNT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-Cl-N4-O4-S.C2-H4-O2

Molecular Weight

  • 484.9585
 
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Names and Synonyms

  • Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate

Registry Numbers

CAS Registry Number

  • 111910-09-9

System Generated Number

  • 0111910099

Molecular Formulas

Molecular Formula

  • C18-H21-Cl-N4-O4-S.C2-H4-O2

Molecular Formula Fragments

  • C18-H21-Cl-N4-O4-S
  • C2-H4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21ClN4O4S.C2H4O2/c1-3-23(4-2)28(25,26)16-10-9-14(11-15(16)19)27-17(24)12-5-7-13(8-6-12)22-18(20)21;1-2(3)4/h5-11H,3-4H2,1-2H3,(H4,20,21,22);1H3,(H,3,4)

InChIKey

NLQKWPVQNPKPNT-UHFFFAOYSA-N

Smiles

CCN(CC)S(=O)(=O)c1ccc(cc1Cl)OC(=O)c2ccc(cc2)NC(=N)N.CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   United States Patent Document. Vol. #4975464,