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Substance Name: Morpholine, 4-(3-(9-bromo-4-(2-chlorophenyl)-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-
RN: 105241-81-4
InChIKey: PCFKKVUXAILUHT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-Br-Cl-N5-O2-S

Molecular Weight

  • 520.8371
 
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Names and Synonyms

  • Morpholine, 4-(3-(9-bromo-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

  • 105241-81-4

System Generated Number

  • 0105241814

Structure Descriptors

InChI

1S/C21H19BrClN5O2S/c22-21-26-25-17-12-24-19(14-3-1-2-4-16(14)23)15-11-13(31-20(15)28(17)21)5-6-18(29)27-7-9-30-10-8-27/h1-4,11H,5-10,12H2

InChIKey

PCFKKVUXAILUHT-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C2=NCc3nnc(n3-c4c2cc(s4)CCC(=O)N5CCOCC5)Br)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,