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Substance Name: DH 990
RN: 53602-61-2
UNII: L03F8Q088H
InChIKey: CQGSORMFKDTILR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-O3-S

Molecular Weight

  • 352.536
 
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Names and Synonyms

Name of Substance

  • DH 990

Synonyms

  • 2-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-hexanoic acid
  • 2-(4-Hydroxy-3,5-di-tert-butylphenylthio)-hexanoic acid
  • BRN 2159986
  • DH 990
  • DL 990
  • UNII-L03F8Q088H

Systematic Names

  • 2-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)hexanoic acid
  • Hexanoic acid, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-
  • Hexanoic acid, 2-(4-hydroxy-3,5-di-tert-butylphenylthio)-

Registry Numbers

CAS Registry Number

  • 53602-61-2

FDA UNII

  • L03F8Q088H

System Generated Number

  • 0053602612

Structure Descriptors

InChI

1S/C20H32O3S/c1-8-9-10-16(18(22)23)24-13-11-14(19(2,3)4)17(21)15(12-13)20(5,6)7/h11-12,16,21H,8-10H2,1-7H3,(H,22,23)

InChIKey

CQGSORMFKDTILR-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1)S[C@@H](CCCC)C(O)=O)C(C)(C)C)O)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 5gm/kg (5000mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1007, 1977.
rat LD50 unreported 7200mg/kg (7200mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1007, 1977.