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Substance Name: Morpholine, 4-(3-(9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-
RN: 105219-70-3
InChIKey: LVMXDNUPNOMOCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N5-O2-S

Molecular Weight

  • 421.5227
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 105219-70-3

System Generated Number

  • 0105219703

Structure Descriptors

InChI

1S/C22H23N5O2S/c1-15-24-25-19-14-23-21(16-5-3-2-4-6-16)18-13-17(30-22(18)27(15)19)7-8-20(28)26-9-11-29-12-10-26/h2-6,13H,7-12,14H2,1H3

InChIKey

LVMXDNUPNOMOCJ-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(cc(s3)CCC(=O)N4CCOCC4)C(=NC2)c5ccccc5

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,