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Substance Name: 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-(4-(N-acetyl-S-(3,5-bis(1,1-dimethylethyl)-4-(hydroxyphenyl)sulfonimidoyl)butoxy)-4,4-dimethyl-
RN: 89432-66-6
InChIKey: PHXITMINQQSNGY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H42-N2-O6-S

Molecular Weight

  • 558.7358
 
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Names and Synonyms

  • 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-(4-(N-acetyl-S-(3,5-bis(1,1-dimethylethyl)-4-(hydroxyphenyl)sulfonimidoyl)butoxy)-4,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 89432-66-6

System Generated Number

  • 0089432666

Structure Descriptors

InChI

1S/C30H42N2O6S/c1-19(33)32-39(36,21-17-23(28(2,3)4)26(34)24(18-21)29(5,6)7)15-11-10-14-37-20-12-13-25-22(16-20)30(8,9)38-27(35)31-25/h12-13,16-18,34H,10-11,14-15H2,1-9H3,(H,31,35)

InChIKey

PHXITMINQQSNGY-UHFFFAOYSA-N

Smiles

CC(=O)N=S(=O)(CCCCOc1ccc2NC(=O)OC(C)(C)c2c1)c3cc(c(O)c(c3)C(C)(C)C)C(C)(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,