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Substance Name: 2-Naphthalenesulfonic acid, 5-(acetylamino)-1-(acetyloxy)-, compd. with pyridine (1:1)
RN: 72076-47-2
InChIKey: YKXSFDJKHIROMG-UHFFFAOYSA-N

Molecular Formula

  • C14-H13-N-O6-S.C5-H5-N

Molecular Weight

  • 402.425
 
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Names and Synonyms

Synonym

  • 5-Acetamido-1-acetoxynaphthalene-2-sulfonic acid, pyridinium salt

Systematic Name

  • 2-Naphthalenesulfonic acid, 5-(acetylamino)-1-(acetyloxy)-, compd. with pyridine (1:1)

Registry Numbers

CAS Registry Number

  • 72076-47-2

System Generated Number

  • 0072076472

Molecular Formulas

Molecular Formula

  • C14-H13-N-O6-S.C5-H5-N

Molecular Formula Fragments

  • C14-H13-N-O6-S
  • C5-H5-N
  • COMPONENT

Structure Descriptors

InChI

1S/C14H13NO6S.C5H5N/c1-8(16)15-12-5-3-4-11-10(12)6-7-13(22(18,19)20)14(11)21-9(2)17;1-2-4-6-5-3-1/h3-7H,1-2H3,(H,15,16)(H,18,19,20);1-5H

InChIKey

YKXSFDJKHIROMG-UHFFFAOYSA-N

Smiles

c1(c2cccc(c2ccc1S(=O)(=O)O)NC(=O)C)OC(=O)C.c1ccccn1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3200mg/kg (3200mg/kg)   National Technical Information Service. Vol. OTS0538011,
rat LD50 oral > 3200mg/kg (3200mg/kg)   National Technical Information Service. Vol. OTS0538011,