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Substance Name: Ammonium, (methylenebis(2-carboxyindole-3,5-diylmethylene))bis(trimethyl-, bismethanesulfate, diethyl ester
RN: 75078-44-3
InChIKey: KAJLEWLXKRAJTD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H42-N4-O4.2C-H3-O4-S

Molecular Weight

  • 756.8902
 
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Names and Synonyms

Synonym

  • Bis(3-dimethylaminomethyl-2-ethoxycarbonyl-5-indolyl)methane methosulfate

Systematic Name

  • Ammonium, (methylenebis(2-carboxyindole-3,5-diylmethylene))bis(trimethyl-, bismethanesulfate, diethyl ester

Registry Numbers

CAS Registry Number

  • 75078-44-3

System Generated Number

  • 0075078443

Molecular Formulas

Molecular Formula

  • C31-H42-N4-O4.2C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C31-H42-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C31H40N4O4.2CH4O4S/c1-9-38-30(36)28-24(18-34(3,4)5)22-16-20(11-13-26(22)32-28)15-21-12-14-27-23(17-21)25(19-35(6,7)8)29(33-27)31(37)39-10-2;2*1-5-6(2,3)4/h11-14,16-17H,9-10,15,18-19H2,1-8H3;2*1H3,(H,2,3,4)

InChIKey

KAJLEWLXKRAJTD-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(c2cc(ccc2[nH]1)Cc3ccc4c(c3)c(c([nH]4)C(=O)OCC)C[N+](C)(C)C)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1600ug/kg (1.6mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 305, 1980.