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Substance Name: 2H-1-Benzopyran-3-amine, 3,4-dihydro-N-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)propyl)-5-methoxy-, (E)-2-butenedioate (1:1)
RN: 153804-56-9
InChIKey: VHWOFEFVULXBPE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O3-S.C4-H4-O4

Molecular Weight

  • 501.5969
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 153804-56-9

System Generated Number

  • 0153804569

Molecular Formulas

Molecular Formula

  • C22-H27-N-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C22-H27-N-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27NO3S.C4H4O4/c1-24-19-8-3-9-20-18(19)14-17(15-26-20)23-11-5-12-25-21-10-2-6-16-7-4-13-27-22(16)21;5-3(6)1-2-4(7)8/h2-3,6,8-10,17,23H,4-5,7,11-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

VHWOFEFVULXBPE-WLHGVMLRSA-N

Smiles

COc1cccc2c1CC(CO2)NCCCOc3cccc4c3SCCC4.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,