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Substance Name: Morpholine, 4-(4-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxobutyl)-
RN: 113825-83-5
InChIKey: WKVOWTMDBFFBQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-Cl-N5-O2-S

Molecular Weight

  • 469.9946
 
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Names and Synonyms

  • Morpholine, 4-(4-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxobutyl)-

Registry Numbers

CAS Registry Number

  • 113825-83-5

System Generated Number

  • 0113825835

Structure Descriptors

InChI

1S/C23H24ClN5O2S/c1-15-26-27-20-14-25-22(17-6-2-3-7-19(17)24)18-13-16(32-23(18)29(15)20)5-4-8-21(30)28-9-11-31-12-10-28/h2-3,6-7,13H,4-5,8-12,14H2,1H3

InChIKey

WKVOWTMDBFFBQD-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(cc(s3)CCCC(=O)N4CCOCC4)C(=NC2)c5ccccc5Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4968794,
mouse LD50 oral 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #5082839,