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Substance Name: Web 2105
RN: 105219-69-0
InChIKey: FKULYJQHZKBYIP-UHFFFAOYSA-N

Note

  • Hetrazepine analog of WEB 2086 ; PAF antagonist.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-Cl-N5-O2-S

Molecular Weight

  • 441.941
 
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Names and Synonyms

Name of Substance

  • Web 2105

Systematic Name

  • Morpholine, 4-(3-(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

  • 105219-69-0

System Generated Number

  • 0105219690

Structure Descriptors

InChI

1S/C21H20ClN5O2S/c22-17-4-2-1-3-15(17)20-16-11-14(5-6-19(28)26-7-9-29-10-8-26)30-21(16)27-13-24-25-18(27)12-23-20/h1-4,11,13H,5-10,12H2

InChIKey

FKULYJQHZKBYIP-UHFFFAOYSA-N

Smiles

C1CN(CCO1)C(CCc1cc2C(=NCc3n(c2s1)cnn3)c1c(cccc1)Cl)=O

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,