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Substance Name: 2H-1-Benzothiopyran-5-ol, 3,4-dihydro-2,2-dimethyl-4-((2-hydroxypropyl)imino)-7-pentyl-, (+-)-
RN: 129679-21-6
InChIKey: FANFUNQGTBJCLK-HKWRFOASSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H29-N-O2-S

Molecular Weight

  • 335.5091
 
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Names and Synonyms

Synonym

  • (+-)-3,4-Dihydro-2,2-dimethyl-4-((2-hydroxypropyl)imino)-7-pentyl-2H-1-benzothiopyran-5-ol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129679-21-6

System Generated Number

  • 0129679216

Structure Descriptors

InChI

1S/C19H29NO2S/c1-5-6-7-8-14-9-16(22)18-15(20-12-13(2)21)11-19(3,4)23-17(18)10-14/h9-10,13,21-22H,5-8,11-12H2,1-4H3/b20-15-

InChIKey

FANFUNQGTBJCLK-HKWRFOASSA-N

Smiles

CCCCCc1cc(c\2c(c1)SC(C/C2=N/CC(C)O)(C)C)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.