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Substance Name: 4-Morpholinebutanoic acid, 7-(1,2-dimethylheptyl)-1,4-dihydro-4,4-dimethyl-2H-thieno(2,3-c)(1)benzopyran-9-yl ester, hydrochloride
RN: 50708-90-2
InChIKey: BEHNRPKGHKATSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H45-N-O4-S.Cl-H

Molecular Weight

  • 552.2154
 
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Names and Synonyms

  • 4-Morpholinebutanoic acid, 7-(1,2-dimethylheptyl)-1,4-dihydro-4,4-dimethyl-2H-thieno(2,3-c)(1)benzopyran-9-yl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 50708-90-2

System Generated Number

  • 0050708902

Molecular Formulas

Molecular Formula

  • C30-H45-N-O4-S.Cl-H

Molecular Formula Fragments

  • C30-H45-N-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H45NO4S.ClH/c1-6-7-8-10-21(2)22(3)23-19-25(34-27(32)11-9-13-31-14-16-33-17-15-31)28-24-12-18-36-29(24)30(4,5)35-26(28)20-23;/h19-22H,6-18H2,1-5H3;1H

InChIKey

BEHNRPKGHKATSC-UHFFFAOYSA-N

Smiles

CCCCCC(C)C(C)c1cc2c(c(c1)OC(=O)CCCN3CCOCC3)C4=C(C(O2)(C)C)SCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 549, 1976.