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Substance Name: 3-Thiazolidineacetic acid, 4-oxo-5-(phenylmethylene)-2-thioxo-, compd. with 2-aminoethanol (1:1)
RN: 101004-68-6
InChIKey: QPLKOACYXNASII-MLBSPLJJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-N-O3-S2.C2-H7-N-O

Molecular Weight

  • 340.4224
 
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Names and Synonyms

Synonym

  • 4-Oxo-5-(phenylmethylene)-2-thio-3-thiazolidineacetic acid 2-aminoethanol (salt)

Systematic Name

  • 3-Thiazolidineacetic acid, 4-oxo-5-(phenylmethylene)-2-thioxo-, compd. with 2-aminoethanol (1:1)

Registry Numbers

CAS Registry Number

  • 101004-68-6

System Generated Number

  • 0101004686

Molecular Formulas

Molecular Formula

  • C12-H9-N-O3-S2.C2-H7-N-O

Molecular Formula Fragments

  • C12-H9-N-O3-S2
  • C2-H7-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C12H9NO3S2.C2H7NO/c14-10(15)7-13-11(16)9(18-12(13)17)6-8-4-2-1-3-5-8;3-1-2-4/h1-6H,7H2,(H,14,15);4H,1-3H2/b9-6+;

InChIKey

QPLKOACYXNASII-MLBSPLJJSA-N

Smiles

c1ccc(cc1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O.C(CO)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 544, 1985.