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Substance Name: 2H-1-Benzopyran-3-amine, 3,4-dihydro-N-(3-((3,4-dihydro-2H-1-benzopyran-8-yl)oxy)propyl)-5-methoxy-N-propyl-, (E)-2-butenedioate (1:1)
RN: 153804-70-7
InChIKey: CORZTOJWAIWNOC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H33-N-O3-S.C4-H4-O4

Molecular Weight

  • 543.6773
 
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Names and Synonyms

  • 2H-1-Benzopyran-3-amine, 3,4-dihydro-N-(3-((3,4-dihydro-2H-1-benzopyran-8-yl)oxy)propyl)-5-methoxy-N-propyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 153804-70-7

System Generated Number

  • 0153804707

Molecular Formulas

Molecular Formula

  • C25-H33-N-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C25-H33-N-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H33NO3S.C4H4O4/c1-3-13-26(20-17-21-22(27-2)10-5-11-23(21)29-18-20)14-7-15-28-24-12-4-8-19-9-6-16-30-25(19)24;5-3(6)1-2-4(7)8/h4-5,8,10-12,20H,3,6-7,9,13-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

CORZTOJWAIWNOC-WLHGVMLRSA-N

Smiles

CCCN(CCCOc1cccc2c1SCCC2)C3Cc4c(cccc4OC)OC3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5389668,