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Substance Name: Phenol, 2,6-bis(1,1-dimethylethyl)-4-(6,7-dihydro-2-methyl-2H-imidazol(2,1-b)(1,3,4)thiadiazin-3-yl)-, hydrochloride
RN: 117829-29-5
InChIKey: AKYYOAJNRVZAOE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N3-O-S.Cl-H

Molecular Weight

  • 395.996
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 117829-29-5

System Generated Number

  • 0117829295

Molecular Formulas

Molecular Formula

  • C20-H29-N3-O-S.Cl-H

Molecular Formula Fragments

  • C20-H29-N3-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29N3OS.ClH/c1-12-16(22-23-9-8-21-18(23)25-12)13-10-14(19(2,3)4)17(24)15(11-13)20(5,6)7;/h10-12,24H,8-9H2,1-7H3;1H

InChIKey

AKYYOAJNRVZAOE-UHFFFAOYSA-N

Smiles

CC1C(=NN2CCN=C2S1)c3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C.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,