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Substance Name: BBR 2222
RN: 177313-65-4
InChIKey: WSYVIAQNTFPTBI-HNNXBMFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O5-S

Molecular Weight

  • 339.4099
 
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Names and Synonyms

Results Name

  • BBR 2222

Synonyms

  • BBR 2222
  • Ethyl (S)-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoate
  • S(-)-Moguisteine

Systematic Name

  • 3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, (S)-

Registry Numbers

CAS Registry Number

  • 177313-65-4

System Generated Number

  • 0177313654

Structure Descriptors

InChI

1S/C16H21NO5S/c1-3-21-16(19)10-14(18)17-8-9-23-15(17)11-22-13-7-5-4-6-12(13)20-2/h4-7,15H,3,8-11H2,1-2H3/t15-/m0/s1

InChIKey

WSYVIAQNTFPTBI-HNNXBMFYSA-N

Smiles

CCOC(=O)CC(=O)N1CCS[C@H]1COc2ccccc2OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1945mg/kg (1945mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Arzneimittel-Forschung. Drug Research. Vol. 46, Pg. 1114, 1996.
mouse LD50 oral > 4757mg/kg (4757mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Arzneimittel-Forschung. Drug Research. Vol. 46, Pg. 1114, 1996.
rat LD50 intraperitoneal 2657mg/kg (2657mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Arzneimittel-Forschung. Drug Research. Vol. 46, Pg. 1114, 1996.
rat LD50 oral > 4gm/kg (4000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 46, Pg. 1114, 1996.