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Substance Name: 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6-(4-(S-(4-hydroxyphenyl)sulfonimidoyl)butoxy)-
RN: 89432-15-5
InChIKey: ZLOCWRKXFNPGJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O5-S

Molecular Weight

  • 404.4846
 
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Names and Synonyms

Synonym

  • 6-(4-(4-Hydroxyphenylsulfoximino)butoxy)-4,4-dimethyl-4H-3,1-benzoxazin-2-one

Systematic Name

  • 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6-(4-(S-(4-hydroxyphenyl)sulfonimidoyl)butoxy)-

Registry Numbers

CAS Registry Number

  • 89432-15-5

System Generated Number

  • 0089432155

Structure Descriptors

InChI

1S/C20H24N2O5S/c1-20(2)17-13-15(7-10-18(17)22-19(24)27-20)26-11-3-4-12-28(21,25)16-8-5-14(23)6-9-16/h5-10,13,21,23H,3-4,11-12H2,1-2H3,(H,22,24)

InChIKey

ZLOCWRKXFNPGJD-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)O)S(=N)(=O)CCCCOc1cc2C(OC(=O)Nc2cc1)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4518597,