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Substance Name: 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-
RN: 178452-83-0
InChIKey: RXQPHFDNZCVXLG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N5-O3-S

Molecular Weight

  • 363.4399
 
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Names and Synonyms

  • 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-

Registry Numbers

CAS Registry Number

  • 178452-83-0

System Generated Number

  • 0178452830

Structure Descriptors

InChI

1S/C16H21N5O3S/c1-18-13-12(20-8-9-25-15(20)17-13)14(23)21(16(18)24)10-11(22)19-6-4-2-3-5-7-19/h2-10H2,1H3

InChIKey

RXQPHFDNZCVXLG-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)CC(=O)N3CCCCCC3)n4c(n2)SCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 640mg/kg (640mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 194, 1996.