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Substance Name: 4-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-3-allyl-4-hydroxy-2-thioxo-
RN: 74332-99-3
InChIKey: FDCZCMHZHVWUCS-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-N2-O3-S

Molecular Weight

  • 264.3038
 
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Names and Synonyms

Synonyms

  • 2-Mercapto-3-allyl-4-carboxy-4-hydroxy-3,4-dihydroquinazoline
  • 3-Allyl-4-hydroxy-1,2,3,4-tetrahydro-2-thioxo-4-quinazolinecarboxylic acid
  • 5-25-09-00024 (Beilstein Handbook Reference)
  • BRN 0255807

Systematic Name

  • 4-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-3-allyl-4-hydroxy-2-thioxo-

Registry Numbers

CAS Registry Number

  • 74332-99-3

System Generated Number

  • 0074332993

Structure Descriptors

InChI

1S/C12H12N2O3S/c1-2-7-14-10(11(15)17-16)8-5-3-4-6-9(8)13-12(14)18/h2-6,10,16H,1,7H2,(H,13,18)

InChIKey

FDCZCMHZHVWUCS-UHFFFAOYSA-N

Smiles

C=CCN1C(c2ccccc2NC1=S)C(=O)OO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 316mg/kg (316mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00566,