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Substance Name: 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate
RN: 101670-76-2
InChIKey: UDMLCPWBWKPKSO-USYMAKMTSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-N4-O5.Ca.4H2-O

Molecular Weight

  • 330.312
 
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Names and Synonyms

Synonym

  • 2',5'-Bis-D-(3-oxo-4-isoxazolidinyliminomethyl)furan, calcium salt, tetrahydrate

Systematic Name

  • 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate

Registry Numbers

CAS Registry Number

  • 101670-76-2

System Generated Number

  • 0101670762

Molecular Formulas

Molecular Formula

  • C12-H12-N4-O5.Ca.4H2-O

Molecular Formula Fragments

  • C12-H12-N4-O5
  • Ca
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C12H12N4O5.Ca/c17-11-9(5-19-15-11)13-3-7-1-2-8(21-7)4-14-10-6-20-16-12(10)18;/h1-4,9-10H,5-6H2,(H,15,17)(H,16,18);/q;+2/p-2/b13-3+,14-4+;

InChIKey

UDMLCPWBWKPKSO-USYMAKMTSA-L

Smiles

c1(oc(\C=N\[C@@H]2C(=NOC2)[O-])cc1)\C=N\[C@@H]1C(=NOC1)[O-].[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 651, 1972.