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Substance Name: N-Acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine
RN: 74514-76-4
InChIKey: HJRFYKCNCXAIPA-UHFFFAOYSA-N

Note

  • Major urinary metabolite of acrylonitrile.

Molecular Weight

  • 228.227
 
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Names and Synonyms

Name of Substance

  • N-Acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine

Synonym

  • Nacctt

Systematic Name

  • 3-Thiomorpholinecarboxylic acid, 4-acetyl-5-cyano-

Registry Numbers

CAS Registry Number

  • 74514-76-4

System Generated Number

  • 0074514764

Structure Descriptors

InChI

1S/C8H8N2O4S/c1-4(11)10-5(2-9)3-14-6(7(10)15)8(12)13/h5-6H,3H2,1H3,(H,12,13)

InChIKey

HJRFYKCNCXAIPA-UHFFFAOYSA-N

Smiles

C1([C@@H](OC[C@@H](N1C(=O)C)C#N)C(=O)O)=S