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Substance Name: Tretinoin tocoferil [INN]
RN: 40516-48-1
UNII: CTD060B1SS
InChIKey: RIQIJXOWVAHQES-UNAKLNRMSA-N

Note

  • A hybrid compound composed of alpha-tocopherol esterified with retinoic acid.

Molecular Formula

  • C49-H76-O3

Molecular Weight

  • 713.136
 
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Names and Synonyms

Name of Substance

  • Tocoretinate
  • Tretinoin tocoferil [INN]

Synonyms

  • (+-)-(2R*)-2,5,7,8-Tetramethyl-2-((4R*,8R*)-4,8,12-trimethyltridecyl)-6-chromanyl retinoate
  • Tretinoin tocoferil
  • UNII-CTD060B1SS

Systematic Name

  • (+-)-(2R*)-2,5,7,8-Tetramethyl-2-((4R*,8R*)-4,8,12-trimethyltridecyl)-6-chromanyl retinoate

Registry Numbers

CAS Registry Number

  • 40516-48-1

FDA UNII

  • CTD060B1SS

System Generated Number

  • 0040516481

Structure Descriptors

InChI

1S/C49H76O3/c1-34(2)19-14-20-35(3)21-15-22-36(4)25-17-31-49(13)32-29-43-42(10)46(40(8)41(9)47(43)52-49)51-45(50)33-38(6)24-16-23-37(5)27-28-44-39(7)26-18-30-48(44,11)12/h16,23-24,27-28,33-36H,14-15,17-22,25-26,29-32H2,1-13H3/b24-16+,28-27+,37-23+,38-33+/t35-,36-,49-/m1/s1

InChIKey

RIQIJXOWVAHQES-UNAKLNRMSA-N

Smiles

C1CCC(C)=C(C1(C)C)\C=C\C(=C\C=C\C(=C\C(Oc1c(c(C)c2c(CC[C@@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)c1C)C)=O)C)C