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Substance Name: Benzo(b)thiophen-3-ol, 2-((4-fluorophenyl)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: 155857-49-1
InChIKey: CIWPFZSSXPJOMR-JQBSRDGCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H26-F-N3-O6-S

Molecular Weight

  • 563.6034
 
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Names and Synonyms

  • Benzo(b)thiophen-3-ol, 2-((4-fluorophenyl)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

  • 155857-49-1

System Generated Number

  • 0155857491

Structure Descriptors

InChI

1S/C29H26FN3O6S/c1-15-4-10-22-25-20(14-39-22)23(38-3)13-31-12-19(24(15)25)18-9-11-21(37-2)26-27(34)29(40(35,36)28(18)26)33-32-17-7-5-16(30)6-8-17/h5-9,11-15,19,22,34H,4,10H2,1-3H3/b23-13+,31-12-,33-32+

InChIKey

CIWPFZSSXPJOMR-JQBSRDGCSA-N

Smiles

CC1CCC2C3=C1C(/C=N\C=C(/C3=CO2)\OC)c4ccc(c5c4S(=O)(=O)C(=C5O)/N=N/c6ccc(cc6)F)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 834, 1993.