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Substance Name: 4H-Pyrrolo(1,2-a)benzimidazole, 2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4-(2-(4-morpholinyl)ethyl)-, sulfate (1:1)
RN: 174657-68-2
InChIKey: ZRVNLFKQIPXHKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H30-Cl-N3-O3.H2-O4-S

Molecular Weight

  • 614.1158
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 174657-68-2

System Generated Number

  • 0174657682

Molecular Formulas

Molecular Formula

  • C30-H30-Cl-N3-O3.H2-O4-S

Molecular Formula Fragments

  • C30-H30-Cl-N3-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C30H30ClN3O3.H2O4S/c1-35-27-12-9-22(19-28(27)36-2)29-24(21-7-10-23(31)11-8-21)20-34-26-6-4-3-5-25(26)33(30(29)34)14-13-32-15-17-37-18-16-32;1-5(2,3)4/h3-12,19-20H,13-18H2,1-2H3;(H2,1,2,3,4)

InChIKey

ZRVNLFKQIPXHKZ-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)c2c(cn3c2n(c4c3cccc4)CCN5CCOCC5)c6ccc(cc6)Cl.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 336mg/kg (336mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 22, 1996.