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Substance Name: Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, butyl ester
RN: 54436-14-5
InChIKey: PMCKJAXNVBTWEJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N3-O4

Molecular Weight

  • 401.5039
 
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Names and Synonyms

  • Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, butyl ester

Registry Numbers

CAS Registry Number

  • 54436-14-5

System Generated Number

  • 0054436145

Structure Descriptors

InChI

1S/C22H31N3O4/c1-3-4-11-28-22(26)20-16(2)23-18-5-6-19-17(21(18)20)14-25(15-29-19)8-7-24-9-12-27-13-10-24/h5-6,23H,3-4,7-15H2,1-2H3

InChIKey

PMCKJAXNVBTWEJ-UHFFFAOYSA-N

Smiles

CCCCOC(=O)c1c([nH]c2c1c3c(cc2)OCN(C3)CCN4CCOCC4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 720mg/kg (720mg/kg)   United States Patent Document. Vol. #3959270,