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Substance Name: 1-Thiocoumarin, 3,4-diamino-
RN: 59647-33-5
InChIKey: NNLVUNPVYAUDLH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-N2-O-S

Molecular Weight

  • 192.2412
 
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Names and Synonyms

Synonyms

  • 3,4-Diamino-1-thiocoumarin
  • 5-18-11-00433 (Beilstein Handbook Reference)
  • BRN 1371490

Systematic Name

  • 1-Thiocoumarin, 3,4-diamino-

Registry Numbers

CAS Registry Number

  • 59647-33-5

System Generated Number

  • 0059647335

Structure Descriptors

InChI

1S/C9H8N2OS/c10-7-5-3-1-2-4-6(5)13-9(12)8(7)11/h1-4H,10-11H2

InChIKey

NNLVUNPVYAUDLH-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c(c(=O)s2)N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SLEEP
Pharmaceutical Chemistry Journal Vol. 12, Pg. 1590, 1978.