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Substance Name: Acetamide, N-(p-amidino-alpha-(piperidinocarbonyl)phenethyl)-2-(2-naphthylsulfonamido)-, (S)-
RN: 86845-59-2
InChIKey: XXTWZTPVNIYSJZ-DEOSSOPVSA-N

Molecular Formula

  • C28-H32-N4-O4-S

Molecular Weight

  • 521.6389
 
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Names and Synonyms

Synonyms

  • (S)-N-(p-Amidino-alpha-(piperidinocarbonyl)phenethyl)-2-(2-naphthylsulfonamido)acetamide
  • N-alpha-(2-Naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide

Systematic Name

  • Acetamide, N-(p-amidino-alpha-(piperidinocarbonyl)phenethyl)-2-(2-naphthylsulfonamido)-, (S)-

Registry Numbers

CAS Registry Number

  • 86845-59-2

Other Registry Number

  • 88095-68-5

System Generated Number

  • 0086845592

Structure Descriptors

InChI

1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m0/s1

InChIKey

XXTWZTPVNIYSJZ-DEOSSOPVSA-N

Smiles

c1ccc2cc(ccc2c1)S(=O)(=O)NCC(=O)N[C@@H](Cc3ccc(cc3)C(=N)N)C(=O)N4CCCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 800mg/kg (800mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Biomedica Biochimica Acta. Vol. 44, Pg. 1201, 1985.
mouse LD50 intravenous 54mg/kg (54mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Biomedica Biochimica Acta. Vol. 44, Pg. 1201, 1985.