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Substance Name: Morpholine, 4-(3-(9-(bromomethyl)-4-(2-chlorophenyl)-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-
RN: 113825-88-0
InChIKey: YDMJCEGWVXLXTB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-Br-Cl-N5-O2-S

Molecular Weight

  • 534.8639
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 113825-88-0

System Generated Number

  • 0113825880

Structure Descriptors

InChI

1S/C22H21BrClN5O2S/c23-12-18-26-27-19-13-25-21(15-3-1-2-4-17(15)24)16-11-14(32-22(16)29(18)19)5-6-20(30)28-7-9-31-10-8-28/h1-4,11H,5-10,12-13H2

InChIKey

YDMJCEGWVXLXTB-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C2=NCc3nnc(n3-c4c2cc(s4)CCC(=O)N5CCOCC5)CBr)Cl

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. #4968794,