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Substance Name: 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-
RN: 77195-30-3
InChIKey: HSUNNJQXBCFXHN-NHQGMKOOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H37-N3-O-S

Molecular Weight

  • 487.7083
 
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Names and Synonyms

  • 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-

Registry Numbers

CAS Registry Number

  • 77195-30-3

System Generated Number

  • 0077195303

Structure Descriptors

InChI

1S/C30H37N3OS/c1-2-3-4-5-6-9-15-34-22-28-18-26-17-27(13-12-24(26)20-31-28)32-30-33-21-25-11-8-7-10-23(25)19-29(33)14-16-35-30/h7-8,10-13,17-18,20,29H,2-6,9,14-16,19,21-22H2,1H3/b32-30+

InChIKey

HSUNNJQXBCFXHN-NHQGMKOOSA-N

Smiles

CCCCCCCCOCc1cc2cc(ccc2cn1)/N=C/3\N4Cc5ccccc5CC4CCS3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 900mg/kg (900mg/kg)   United States Patent Document. Vol. #4261992,