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Substance Name: Benzo(b)thiophen-3-amine, N-(3,4-difluorophenyl)-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: 155857-44-6
InChIKey: USSNSOCRHVJCMC-IFKWFGQLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H26-F2-N2-O5-S

Molecular Weight

  • 552.5954
 
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Names and Synonyms

  • Benzo(b)thiophen-3-amine, N-(3,4-difluorophenyl)-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

  • 155857-44-6

System Generated Number

  • 0155857446

Structure Descriptors

InChI

1S/C29H26F2N2O5S/c1-15-4-8-24-27-19(13-38-24)25(37-3)12-32-11-18(26(15)27)17-6-9-23(36-2)28-22(14-39(34,35)29(17)28)33-16-5-7-20(30)21(31)10-16/h5-7,9-15,18,24,33H,4,8H2,1-3H3/b25-12+,32-11-

InChIKey

USSNSOCRHVJCMC-IFKWFGQLSA-N

Smiles

CC1CCC2C3=C1C(/C=N\C=C(/C3=CO2)\OC)c4ccc(c5c4S(=O)(=O)C=C5Nc6ccc(c(c6)F)F)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1300mg/kg (1300mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 834, 1993.