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Substance Name: Benzo(b)thiophene-3-methanol, alpha-(dimethylaminomethyl)-, picrate
RN: 7565-81-3
InChIKey: CDBVCXKGDCGBCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N-O-S.C6-H3-N3-O7

Molecular Weight

  • 450.426
 
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Names and Synonyms

Synonym

  • alpha-(Dimethylaminomethyl)benzo(b)thiophene-3-methanol picrate

Systematic Name

  • Benzo(b)thiophene-3-methanol, alpha-(dimethylaminomethyl)-, picrate

Registry Numbers

CAS Registry Number

  • 7565-81-3

System Generated Number

  • 0007565813

Molecular Formulas

Molecular Formula

  • C12-H15-N-O-S.C6-H3-N3-O7

Molecular Formula Fragments

  • C12-H15-N-O-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15NOS.C6H3N3O7/c1-13(2)7-11(14)10-8-15-12-6-4-3-5-9(10)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,8,11,14H,7H2,1-2H3;1-2,10H

InChIKey

CDBVCXKGDCGBCI-UHFFFAOYSA-N

Smiles

c12c(csc1cccc2)[C@@H](C[NH+](C)C)O.c1(c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 819, 1966.