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Substance Name: Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-(((3-pyridinylmethyl)amino)carbonyl)-
RN: 39838-92-1
InChIKey: KJXQCYSYTCGFRB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N3-O5

Molecular Weight

  • 407.4239
 
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Names and Synonyms

Synonyms

  • 5-22-09-00323 (Beilstein Handbook Reference)
  • BRN 0463850

Systematic Name

  • Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-(((3-pyridinylmethyl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 39838-92-1

System Generated Number

  • 0039838921

Structure Descriptors

InChI

1S/C22H21N3O5/c1-29-18-8-14-5-7-25-17(15(14)10-19(18)30-2)9-16(20(25)22(27)28)21(26)24-12-13-4-3-6-23-11-13/h3-4,6,8-11H,5,7,12H2,1-2H3,(H,24,26)(H,27,28)

InChIKey

KJXQCYSYTCGFRB-UHFFFAOYSA-N

Smiles

COc1cc2c(cc1OC)-c3cc(c(n3CC2)C(=O)O)C(=O)NCc4cccnc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 400mg/kg (400mg/kg)   Farmaco, Edizione Scientifica. Vol. 27, Pg. 1029, 1972.