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Substance Name: Valtroxal
RN: 71013-41-7
InChIKey: WBCKSAACKDSJQC-UHFFFAOYSA-N

Molecular Formula

  • C17-H22-O7

Molecular Weight

  • 338.354
 
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Names and Synonyms

Results Name

  • Valtroxal

Synonyms

  • NSC 364273
  • Valtroxal

Systematic Name

  • Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-7-formyl-1,3,4,7a-tetrahydro-1-hydroxycyclopenta(c)pyran-4-yl ester

Registry Numbers

CAS Registry Number

  • 71013-41-7

System Generated Number

  • 0071013417

Structure Descriptors

InChI

1S/C17H22O7/c1-10(2)6-14(20)24-17(8-22-11(3)19)9-23-16(21)15-12(7-18)4-5-13(15)17/h4-5,7,10,15-16,21H,6,8-9H2,1-3H3

InChIKey

WBCKSAACKDSJQC-UHFFFAOYSA-N

Smiles

C1=2[C@@](CO[C@@H]([C@@H]1C(C=O)=CC2)O)(OC(CC(C)C)=O)COC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 83mg/kg (83mg/kg) BEHAVIORAL: ANTIPSYCHOTIC Archiv der Pharmazie Vol. 315, Pg. 691, 1982.