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Substance Name: 1H-Isoindole-1-carboxylic acid, 2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-2,3-dihydro-
RN: 66937-38-0
InChIKey: BKACYIXWKWBJTF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-N5-O7-S

Molecular Weight

  • 569.6359
 
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Names and Synonyms

Synonym

  • 2-((N2-6,7-Dimethoxy-2-naphthalenesulfonyl)-L-arginyl)isoindoline-1-carboxylic acid

Systematic Name

  • 1H-Isoindole-1-carboxylic acid, 2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-2,3-dihydro-

Registry Numbers

CAS Registry Number

  • 66937-38-0

System Generated Number

  • 0066937380

Structure Descriptors

InChI

1S/C27H31N5O7S/c1-38-22-13-16-9-10-19(12-18(16)14-23(22)39-2)40(36,37)31-21(8-5-11-30-27(28)29)25(33)32-15-17-6-3-4-7-20(17)24(32)26(34)35/h3-4,6-7,9-10,12-14,21,24,31H,5,8,11,15H2,1-2H3,(H,34,35)(H4,28,29,30)

InChIKey

BKACYIXWKWBJTF-UHFFFAOYSA-N

Smiles

COc1cc2ccc(cc2cc1OC)S(=O)(=O)NC(CCCNC(=N)N)C(=O)N3Cc4ccccc4C3C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4104392,