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Substance Name: Elsibucol [USAN:INN]
RN: 216167-95-2
UNII: O7T92N1Y8T
InChIKey: YHFUPQNXMNMQAK-UHFFFAOYSA-N

Classification Code

  • Prevention of Solid Organ Transplant Rejection

Molecular Formula

  • C35-H54-O4-S2

Molecular Weight

  • 602.9396
 
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Names and Synonyms

Name of Substance

  • Elsibucol
  • Elsibucol [USAN:INN]

Synonyms

  • 4-(4-((1-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)sulfanyl)-1-methylethyl)sulfanyl)-2,6-bis(1,1-dimethylethyl)phenoxy)butanoic acid
  • AGI 1096
  • AGI-1096
  • Elsibucol
  • UNII-O7T92N1Y8T

Systematic Name

  • Butanoic acid, 4-(4-((1-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-1-methylethyl)thio)-2,6-bis(1,1-dimethylethyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 216167-95-2

FDA UNII

  • O7T92N1Y8T

System Generated Number

  • 0216167952

Structure Descriptors

InChI

1S/C35H54O4S2/c1-31(2,3)24-18-22(19-25(29(24)38)32(4,5)6)40-35(13,14)41-23-20-26(33(7,8)9)30(27(21-23)34(10,11)12)39-17-15-16-28(36)37/h18-21,38H,15-17H2,1-14H3,(H,36,37)

InChIKey

YHFUPQNXMNMQAK-UHFFFAOYSA-N

Smiles

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SC(C)(C)Sc2cc(c(c(c2)C(C)(C)C)OCCCC(=O)O)C(C)(C)C