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Substance Name: 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride
RN: 140447-62-7
InChIKey: RYPRUTLFGXBDAG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H39-Br-N6-O9.2Cl-H

Molecular Weight

  • 816.5299
 
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Names and Synonyms

  • 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 140447-62-7

System Generated Number

  • 0140447627

Molecular Formulas

Molecular Formula

  • C33-H39-Br-N6-O9.2Cl-H

Molecular Formula Fragments

  • C33-H39-Br-N6-O9
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C33H39BrN6O9.2ClH/c1-33(31(44)48-4)29(42)24-20-13-19(34)15-40(30(43)21-12-17-11-18(16-41)27(46-2)28(47-3)25(17)36-21)22(20)14-23(26(24)37-33)49-32(45)39-9-7-38(6-5-35)8-10-39;;/h11-12,14,19,36-37,41H,5-10,13,15-16,35H2,1-4H3;2*1H

InChIKey

RYPRUTLFGXBDAG-UHFFFAOYSA-N

Smiles

CC1(C(=O)c2c3c(cc(c2N1)OC(=O)N4CCN(CC4)CCN)N(CC(C3)Br)C(=O)c5cc6cc(c(c(c6[nH]5)OC)OC)CO)C(=O)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 2mg/kg (2mg/kg)   United States Patent Document. Vol. #5332740,