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Substance Name: Benzo(b)thiophen-3-ol, 2-((3,4-difluorophenyl)azo)-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide
RN: 155857-50-4
InChIKey: NYLBMTVGMFZOBH-OSQAIONTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H25-F2-N3-O6-S

Molecular Weight

  • 581.5935
 
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Names and Synonyms

  • Benzo(b)thiophen-3-ol, 2-((3,4-difluorophenyl)azo)-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 155857-50-4

System Generated Number

  • 0155857504

Structure Descriptors

InChI

1S/C29H25F2N3O6S/c1-14-4-8-22-25-18(13-40-22)23(39-3)12-32-11-17(24(14)25)16-6-9-21(38-2)26-27(35)29(41(36,37)28(16)26)34-33-15-5-7-19(30)20(31)10-15/h5-7,9-14,17,22,35H,4,8H2,1-3H3/b23-12+,32-11-,34-33+

InChIKey

NYLBMTVGMFZOBH-OSQAIONTSA-N

Smiles

CC1CCC2C3=C1C(/C=N\C=C(/C3=CO2)\OC)c4ccc(c5c4S(=O)(=O)C(=C5O)/N=N/c6ccc(c(c6)F)F)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 834, 1993.