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Substance Name: Baldrinal
RN: 18234-46-3
InChIKey: QIUOVIRIFZOCLL-UHFFFAOYSA-N

Note

  • From Valerianaceae roots.

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H10-O4

Molecular Weight

  • 218.207
 
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Names and Synonyms

Name of Substance

  • Baldrinal

Synonyms

  • 4-(Hydroxymethyl)cyclopenta(c)pyran-7-carboxaldehyde acetate
  • Baldrinal
  • BRN 5942017
  • CCRIS 2663

Systematic Names

  • Baldrinal
  • Cyclopenta(c)pyran-7-carboxaldehyde, 4-((acetyloxy)methyl)- (9CI)
  • Cyclopenta(c)pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate

Registry Numbers

CAS Registry Number

  • 18234-46-3

System Generated Number

  • 0018234463

Structure Descriptors

InChI

1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3

InChIKey

QIUOVIRIFZOCLL-UHFFFAOYSA-N

Smiles

c1c2c(c(co1)COC(=O)C)ccc2C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 465mg/kg (465mg/kg) BEHAVIORAL: ANTIPSYCHOTIC Archiv der Pharmazie Vol. 315, Pg. 691, 1982.