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Substance Name: Benzo(b)thiophen-3-amine, N-(3-chlorophenyl-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: 155857-42-4
InChIKey: SHTVVAHOIMTISX-NRPXBBHISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H27-Cl-N2-O5-S

Molecular Weight

  • 551.0603
 
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Names and Synonyms

  • Benzo(b)thiophen-3-amine, N-(3-chlorophenyl-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

  • 155857-42-4

System Generated Number

  • 0155857424

Structure Descriptors

InChI

1S/C29H27ClN2O5S/c1-16-7-9-24-27-21(14-37-24)25(36-3)13-31-12-20(26(16)27)19-8-10-23(35-2)28-22(15-38(33,34)29(19)28)32-18-6-4-5-17(30)11-18/h4-6,8,10-16,20,24,32H,7,9H2,1-3H3/b25-13+,31-12-

InChIKey

SHTVVAHOIMTISX-NRPXBBHISA-N

Smiles

CC1CCC2C3=C1C(/C=N\C=C(/C3=CO2)\OC)c4ccc(c5c4S(=O)(=O)C=C5Nc6cccc(c6)Cl)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.