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Substance Name: 2H-1-Benzothiopyran-5-ol, 3,4-dihydro-2,2-dimethyl-4-((2-hydroxyethyl)imino)-7-pentyl-
RN: 88880-08-4
InChIKey: BZACNOGBTLOPBD-XMHGGMMESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O2-S

Molecular Weight

  • 321.4823
 
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Names and Synonyms

Synonyms

  • 3,4-Dihydro-2,2-dimethyl-4-((2-hydroxyethyl)imino)-7-pentyl-2H-1-benzothiopyran-5-ol
  • BRN 4192697

Systematic Name

  • 2H-1-Benzothiopyran-5-ol, 3,4-dihydro-2,2-dimethyl-4-((2-hydroxyethyl)imino)-7-pentyl-

Registry Numbers

CAS Registry Number

  • 88880-08-4

System Generated Number

  • 0088880084

Structure Descriptors

InChI

1S/C18H27NO2S/c1-4-5-6-7-13-10-15(21)17-14(19-8-9-20)12-18(2,3)22-16(17)11-13/h10-11,20-21H,4-9,12H2,1-3H3/b19-14+

InChIKey

BZACNOGBTLOPBD-XMHGGMMESA-N

Smiles

CCCCCc1cc2c(/C(=N/CCO)CC(S2)(C)C)c(c1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2865, 1990.