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Substance Name: 1,2,4-Triazolidine-2,4-dicarboxylic acid, 2-benzoyl-1-benzyl-5-phenyl-, diethyl ester
RN: 102433-77-2
InChIKey: MQOKBAOCHNZZRC-UHFFFAOYSA-N

Molecular Formula

  • C28-H29-N3-O5

Molecular Weight

  • 487.5531
 
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Names and Synonyms

Synonyms

  • 1,2,4-Triazolidine-1,3-dicarboxylic acid, 3-benzoyl-5-phenyl-4-(phenylmethyl)-, diethyl ester
  • 3-Benzoyl-4-benzyl-5-phenyl-1,2-dicarbethoxy-1,2,4-triazolidine

Systematic Name

  • 1,2,4-Triazolidine-2,4-dicarboxylic acid, 2-benzoyl-1-benzyl-5-phenyl-, diethyl ester

Registry Numbers

CAS Registry Number

  • 102433-77-2

System Generated Number

  • 0102433772

Structure Descriptors

InChI

1S/C28H29N3O5/c1-3-24-30(27(33)35-4-2)25(22-16-10-6-11-17-22)29(20-21-14-8-5-9-15-21)31(24)28(34)36-26(32)23-18-12-7-13-19-23/h5-19,24-25H,3-4,20H2,1-2H3

InChIKey

MQOKBAOCHNZZRC-UHFFFAOYSA-N

Smiles

CCC1N(C(N(N1C(=O)OC(=O)c2ccccc2)Cc3ccccc3)c4ccccc4)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 133mg/kg (133mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11820,