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Substance Name: Ammonium, ((2-carboxy-5,5'-biindol)-3,3'-diylmethylene)bis(trimethyl-, bismethanesulfate, diethyl ester
RN: 75078-46-5
InChIKey: UEPPHVHQPAPMCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H40-N4-O4.2C-H3-O4-S

Molecular Weight

  • 742.8634
 
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Names and Synonyms

Synonym

  • 3,3'-Bis(dimethylaminoethyl)-2,2'-bis(ethoxycarbonyl)-5,5'-biindole methosulfate

Systematic Name

  • Ammonium, ((2-carboxy-5,5'-biindol)-3,3'-diylmethylene)bis(trimethyl-, bismethanesulfate, diethyl ester

Registry Numbers

CAS Registry Number

  • 75078-46-5

System Generated Number

  • 0075078465

Molecular Formulas

Molecular Formula

  • C30-H40-N4-O4.2C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C30-H40-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H38N4O4.2CH4O4S/c1-9-37-29(35)27-23(17-33(3,4)5)21-15-19(11-13-25(21)31-27)20-12-14-26-22(16-20)24(18-34(6,7)8)28(32-26)30(36)38-10-2;2*1-5-6(2,3)4/h11-16H,9-10,17-18H2,1-8H3;2*1H3,(H,2,3,4)

InChIKey

UEPPHVHQPAPMCS-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(c2cc(ccc2[nH]1)c3ccc4c(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 1800ug/kg (1.8mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 305, 1980.