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Substance Name: Butyric 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-morpholinoethyl ester, hydrochloride
RN: 100700-32-1
InChIKey: KSSNXEOMCXIDHS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H33-N-O8.Cl-H

Molecular Weight

  • 487.974
 
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Names and Synonyms

  • Butyric 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-morpholinoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 100700-32-1

System Generated Number

  • 0100700321

Molecular Formulas

Molecular Formula

  • C23-H33-N-O8.Cl-H

Molecular Formula Fragments

  • C23-H33-N-O8
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H33NO8.ClH/c1-4-17(23(26)30-12-8-24-6-10-28-11-7-24)32-19-15-5-9-29-20(15)22(27-3)21-18(19)16(25)13-14(2)31-21;/h5,9,13,15,17-22H,4,6-8,10-12H2,1-3H3;1H

InChIKey

KSSNXEOMCXIDHS-UHFFFAOYSA-N

Smiles

O([C@@H]1[C@@H]2[C@@H]([C@@H](OC)[C@@H]3[C@@H]1C=CO3)OC(C)=CC2=O)[C@@H](C(OCC[NH+]1CCOCC1)=O)CC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 260mg/kg (260mg/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.