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Substance Name: 4H-Pyrrolo(1,2-a)benzimidazole, 3-(3,4-dimethoxyphenyl)-4-(2-(4-morpholinyl)ethyl)-2-phenyl-,sulfate (1:1)
RN: 174657-66-0
InChIKey: LCKYDKIQLFZZMY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H31-N3-O3.H2-O4-S

Molecular Weight

  • 579.6707
 
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Names and Synonyms

  • 4H-Pyrrolo(1,2-a)benzimidazole, 3-(3,4-dimethoxyphenyl)-4-(2-(4-morpholinyl)ethyl)-2-phenyl-,sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 174657-66-0

System Generated Number

  • 0174657660

Molecular Formulas

Molecular Formula

  • C30-H31-N3-O3.H2-O4-S

Molecular Formula Fragments

  • C30-H31-N3-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C30H31N3O3.H2O4S/c1-34-27-13-12-23(20-28(27)35-2)29-24(22-8-4-3-5-9-22)21-33-26-11-7-6-10-25(26)32(30(29)33)15-14-31-16-18-36-19-17-31;1-5(2,3)4/h3-13,20-21H,14-19H2,1-2H3;(H2,1,2,3,4)

InChIKey

LCKYDKIQLFZZMY-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)c2c(cn3c2n(c4c3cccc4)CCN5CCOCC5)c6ccccc6.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 794mg/kg (794mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 22, 1996.