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Substance Name: 5-Isoquinolinamine, 3-(ethoxymethyl)-N-(3,4,4a,5-tetrahydro-1H-(1,3)thiazino(3,4-a)indol-1-ylidene)-, (+-)-
RN: 76953-87-2
InChIKey: FSAYBDWZYLDQCB-WJTDDFOZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H23-N3-O-S

Molecular Weight

  • 389.5207
 
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Names and Synonyms

Synonym

  • (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole

Systematic Name

  • 5-Isoquinolinamine, 3-(ethoxymethyl)-N-(3,4,4a,5-tetrahydro-1H-(1,3)thiazino(3,4-a)indol-1-ylidene)-, (+-)-

Registry Numbers

CAS Registry Number

  • 76953-87-2

System Generated Number

  • 0076953872

Structure Descriptors

InChI

1S/C23H23N3OS/c1-2-27-15-20-12-18-11-19(8-7-17(18)14-24-20)25-23-26-21(9-10-28-23)13-16-5-3-4-6-22(16)26/h3-8,11-12,14,21H,2,9-10,13,15H2,1H3/b25-23+

InChIKey

FSAYBDWZYLDQCB-WJTDDFOZSA-N

Smiles

CCOCc1cc2cc(ccc2cn1)/N=C/3\N4c5ccccc5CC4CCS3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 900mg/kg (900mg/kg)   United States Patent Document. Vol. #4261993,