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Substance Name: 1,5-Dioxa-9-azaspiro(5.5)undecane, 9-(2,6-diamino-4-pyrimidinyl)-, 1'-oxide
RN: 83540-23-2
InChIKey: NXLFLIOVQCMTFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N5-O3

Molecular Weight

  • 281.3141
 
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Names and Synonyms

Synonym

  • 9-(2,6-Diamino-4-pyrimidinyl)-1,5-dioxa-9-azaspiro(5.5)undecane 1'-oxide

Systematic Name

  • 1,5-Dioxa-9-azaspiro(5.5)undecane, 9-(2,6-diamino-4-pyrimidinyl)-, 1'-oxide

Registry Numbers

CAS Registry Number

  • 83540-23-2

System Generated Number

  • 0083540232

Structure Descriptors

InChI

1S/C12H19N5O3/c13-9-8-10(15-11(14)17(9)18)16-4-2-12(3-5-16)19-6-1-7-20-12/h8H,1-7,13H2,(H2,14,15)

InChIKey

NXLFLIOVQCMTFV-UHFFFAOYSA-N

Smiles

c1c([n+](c(nc1N2CCC3(CC2)OCCCO3)N)[O-])N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg)   Bollettino Chimico Farmaceutico. Vol. 121, Pg. 16, 1982.
mouse LD50 oral 2400mg/kg (2400mg/kg)   Bollettino Chimico Farmaceutico. Vol. 121, Pg. 16, 1982.