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Substance Name: Benzo(1,2-b:3,4-b')dipyrrole-3,8-dimethanaminium, 1,6-dihydro-2,7-bis(ethoxycarbonyl)-N,N,N,N',N',N'-hexamethyl-, bis(methylsulfate)
RN: 72990-72-8
InChIKey: ODPYZUQFLCDLMT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H36-N4-O4.2C-H3-O4-S

Molecular Weight

  • 666.766
 
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Names and Synonyms

Synonym

  • 3,8-Di(trimethylammoniummethyl)-1H,6H-pyrrolo(2,3-e)indole dimethylsulfate

Systematic Name

  • Benzo(1,2-b:3,4-b')dipyrrole-3,8-dimethanaminium, 1,6-dihydro-2,7-bis(ethoxycarbonyl)-N,N,N,N',N',N'-hexamethyl-, bis(methylsulfate)

Registry Numbers

CAS Registry Number

  • 72990-72-8

System Generated Number

  • 0072990728

Molecular Formulas

Molecular Formula

  • C24-H36-N4-O4.2C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C24-H36-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H34N4O4.2CH4O4S/c1-9-31-23(29)21-16(13-27(3,4)5)15-11-12-18-19(20(15)26-21)17(14-28(6,7)8)22(25-18)24(30)32-10-2;2*1-5-6(2,3)4/h11-12H,9-10,13-14H2,1-8H3;2*1H3,(H,2,3,4)

InChIKey

ODPYZUQFLCDLMT-UHFFFAOYSA-N

Smiles

c12c3c(c([nH]c3ccc1c(c([nH]2)C(=O)OCC)C[N+](C)(C)C)C(OCC)=O)C[N+](C)(C)C.S(OC)(=O)(=O)[O-].S(OC)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2900ug/kg (2.9mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 14, 1984.