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Substance Name: 2,4-Hexanediol, 3,4-bis(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-
RN: 141075-83-4
InChIKey: QXARPYSNDQRSAK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H54-O4

Molecular Weight

  • 526.7966
 
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Names and Synonyms

Synonyms

  • 3,4-Bis(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2,4-hexanediol
  • 3,4-Bis(3,5-di(tert-butyl)-4-hydroxyphenyl)hexane-2,4-diol
  • BRN 5461856

Systematic Name

  • 2,4-Hexanediol, 3,4-bis(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 141075-83-4

System Generated Number

  • 0141075834

Structure Descriptors

InChI

1S/C34H54O4/c1-15-33(37,21-17-23(29(3,4)5)27(35)24(18-21)30(6,7)8)34(38,16-2)22-19-25(31(9,10)11)28(36)26(20-22)32(12,13)14/h17-20,35-38H,15-16H2,1-14H3

InChIKey

QXARPYSNDQRSAK-UHFFFAOYSA-N

Smiles

CCC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C(CC)(c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 594, 1992.
mouse LD oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 594, 1992.