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Substance Name: 4H-Pyrrolo(1,2-a)benzimidazole, 3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-(2-(4-morpholinyl)ethyl)-, sulfate (1:1)
RN: 174657-64-8
InChIKey: VRRRQJAGBHGUBV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H33-N3-O4.H2-O4-S

Molecular Weight

  • 609.6965
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 174657-64-8

System Generated Number

  • 0174657648

Molecular Formulas

Molecular Formula

  • C31-H33-N3-O4.H2-O4-S

Molecular Formula Fragments

  • C31-H33-N3-O4
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C31H33N3O4.H2O4S/c1-35-24-11-8-22(9-12-24)25-21-34-27-7-5-4-6-26(27)33(15-14-32-16-18-38-19-17-32)31(34)30(25)23-10-13-28(36-2)29(20-23)37-3;1-5(2,3)4/h4-13,20-21H,14-19H2,1-3H3;(H2,1,2,3,4)

InChIKey

VRRRQJAGBHGUBV-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)c2cn3c4ccccc4n(c3c2c5ccc(c(c5)OC)OC)CCN6CCOCC6.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 390mg/kg (390mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 22, 1996.