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Substance Name: 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2,6-diamino-4-pyrimidinyl)-, 1'-oxide, hydrochloride, hydrate
RN: 83540-21-0
InChIKey: NAXOHTGKXMFEAX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N6-O3.Cl-H.H2-O

Molecular Weight

  • 316.7473
 
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Names and Synonyms

  • 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2,6-diamino-4-pyrimidinyl)-, 1'-oxide, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 83540-21-0

System Generated Number

  • 0083540210

Molecular Formulas

Molecular Formula

  • C11-H16-N6-O3.Cl-H.H2-O

Molecular Formula Fragments

  • C11-H16-N6-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C11H16N6O3.ClH/c12-7-5-8(15-9(13)17(7)19)16-3-1-11(2-4-16)6-14-10(18)20-11;/h5H,1-4,6,12H2,(H2,13,15)(H,14,18);1H

InChIKey

NAXOHTGKXMFEAX-UHFFFAOYSA-N

Smiles

c1c(n(=O)c(nc1N2CCC3(CC2)CNC(=O)O3)N)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 729mg/kg (729mg/kg)   Bollettino Chimico Farmaceutico. Vol. 121, Pg. 16, 1982.
mouse LD50 oral > 3gm/kg (3000mg/kg)   Bollettino Chimico Farmaceutico. Vol. 121, Pg. 16, 1982.