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Substance Name: S-2-Benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate, (Z)-
RN: 80756-85-0
UNII: 96SMK1EX8X
InChIKey: COFDRZLHVALCDU-YVLHZVERSA-N

Molecular Formula

  • C13-H10-N4-O2-S3

Molecular Weight

  • 350.446
 
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Names and Synonyms

Name of Substance

  • S-2-Benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate, (Z)-

Synonyms

  • (2-Mercaptobenzothiazolyl)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate (syn)
  • EINECS 279-540-6
  • S-2-Benzothiazolyl (Z)-2-amino-alpha-(methoxyimino)-4-thiazoleethanethioate
  • S-Benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate
  • UNII-96SMK1EX8X

Systematic Names

  • 4-Thiazoleethanethioic acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)-
  • S-Benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate

Registry Numbers

CAS Registry Number

  • 80756-85-0

FDA UNII

  • 96SMK1EX8X

System Generated Number

  • 0080756850

Structure Descriptors

InChI

1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10-

InChIKey

COFDRZLHVALCDU-YVLHZVERSA-N

Smiles

CO\N=C(/C(=O)Sc1nc2ccccc2s1)\c3csc(N)n3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 570mg/kg (570mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
mouse LD oral > 5gm/kg (5000mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
mouse LD50 intraperitoneal 253mg/kg (253mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rat LD oral > 20gm/kg (20000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rat LD50 intraperitoneal 570mg/kg (570mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.