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Substance Name: Valeric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-piperidinoethyl ester, hydrochloride
RN: 102584-94-1
InChIKey: DTDDFPQUWCMQMQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H37-N-O7.Cl-H

Molecular Weight

  • 500.0282
 
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Names and Synonyms

  • Valeric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-piperidinoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102584-94-1

System Generated Number

  • 0102584941

Molecular Formulas

Molecular Formula

  • C25-H37-N-O7.Cl-H

Molecular Formula Fragments

  • C25-H37-N-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H37NO7.ClH/c1-4-8-19(25(28)31-14-12-26-10-6-5-7-11-26)33-21-17-9-13-30-22(17)24(29-3)23-20(21)18(27)15-16(2)32-23;/h9,13,15,17,19-24H,4-8,10-12,14H2,1-3H3;1H

InChIKey

DTDDFPQUWCMQMQ-UHFFFAOYSA-N

Smiles

CCCC(C(=O)OCCN1CCCCC1)OC2C3C=COC3C(C4C2C(=O)C=C(O4)C)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 118mg/kg (118mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Polish Journal of Pharmacology and Pharmacy. Vol. 30, Pg. 767, 1978.