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Substance Name: Morpholine, 4-((4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)acetyl)-
RN: 113825-82-4
InChIKey: NTMMXSYCPSXHFZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-Cl-N5-O2-S

Molecular Weight

  • 441.941
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 113825-82-4

System Generated Number

  • 0113825824

Structure Descriptors

InChI

1S/C21H20ClN5O2S/c1-13-24-25-18-12-23-20(15-4-2-3-5-17(15)22)16-10-14(30-21(16)27(13)18)11-19(28)26-6-8-29-9-7-26/h2-5,10H,6-9,11-12H2,1H3

InChIKey

NTMMXSYCPSXHFZ-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(cc(s3)CC(=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,