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Substance Name: Thiopyrano(2,3-b)indole-4-methanamine, 2,3,4,9-tetrahydro-N-phenyl-, ethanedioate (1:1)
RN: 73425-67-9
InChIKey: PGXJUIROGYFKLE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N2-S.C2-H2-O4

Molecular Weight

  • 384.454
 
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Names and Synonyms

Synonym

  • 2,3,4,9-Tetrahydro-N-phenylthiopyrano(2,3-b)indole-4-methanamine ethanedioate (1:1)

Systematic Name

  • Thiopyrano(2,3-b)indole-4-methanamine, 2,3,4,9-tetrahydro-N-phenyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 73425-67-9

System Generated Number

  • 0073425679

Molecular Formulas

Molecular Formula

  • C18-H18-N2-S.C2-H2-O4

Molecular Formula Fragments

  • C18-H18-N2-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18N2S.C2H2O4/c1-2-6-14(7-3-1)19-12-13-10-11-21-18-17(13)15-8-4-5-9-16(15)20-18;3-1(4)2(5)6/h1-9,13,19-20H,10-12H2;(H,3,4)(H,5,6)

InChIKey

PGXJUIROGYFKLE-UHFFFAOYSA-N

Smiles

c1ccc(cc1)NCC2CCSc3c2c4ccccc4[nH]3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 32, Pg. 877, 1984.