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Substance Name: Phenol, 2,6-bis(1,1-dimethylethyl)-4-(6,7-dihydro-2H-imidazo(2,1-b)(1,3,4)thiadiazin-3-yl)-, hydrochloride
RN: 117829-28-4
InChIKey: NFZYEVTYGHAMBF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N3-O-S.Cl-H

Molecular Weight

  • 381.9692
 
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Names and Synonyms

Synonym

  • 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-6,7-dihydro-2H-imidazo(2,1-b)(1,3,4)thiadiazine HCl

Systematic Name

  • Phenol, 2,6-bis(1,1-dimethylethyl)-4-(6,7-dihydro-2H-imidazo(2,1-b)(1,3,4)thiadiazin-3-yl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 117829-28-4

System Generated Number

  • 0117829284

Molecular Formulas

Molecular Formula

  • C19-H27-N3-O-S.Cl-H

Molecular Formula Fragments

  • C19-H27-N3-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H27N3OS.ClH/c1-18(2,3)13-9-12(10-14(16(13)23)19(4,5)6)15-11-24-17-20-7-8-22(17)21-15;/h9-10,23H,7-8,11H2,1-6H3;1H

InChIKey

NFZYEVTYGHAMBF-UHFFFAOYSA-N

Smiles

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C2=NN3CCN=C3SC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1200mg/kg (1200mg/kg)   United States Patent Document. Vol. #4891374,