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Substance Name: 1H-Pyrido(3,4-b)indole-1,1-dicarboxylic acid, 2,3,4,9-tetrahydro-3-phosphono-
RN: 109345-54-2
InChIKey: HPCNRZRKFWZMPA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N2-O7-P

Molecular Weight

  • 340.2267
 
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Names and Synonyms

Synonym

  • 2,3,4,9-Tetrahydro-3-phosphono-1H-pyrido(3,4-b)indole-1,1-dicarboxylic acid

Systematic Name

  • 1H-Pyrido(3,4-b)indole-1,1-dicarboxylic acid, 2,3,4,9-tetrahydro-3-phosphono-

Registry Numbers

CAS Registry Number

  • 109345-54-2

System Generated Number

  • 0109345542

Structure Descriptors

InChI

1S/C13H13N2O7P/c16-11(17)13(12(18)19)10-7(5-9(15-13)23(20,21)22)6-3-1-2-4-8(6)14-10/h1-4,9,14-15H,5H2,(H,16,17)(H,18,19)(H2,20,21,22)

InChIKey

HPCNRZRKFWZMPA-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c3c([nH]2)C(NC(C3)P(=O)(O)O)(C(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 38, Pg. 435, 1986.