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Substance Name: Tocopheryl retinoate
RN: 40516-49-2
UNII: 0WN694NBMM
InChIKey: RIQIJXOWVAHQES-UNAKLNRMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C49-H76-O3

Molecular Weight

  • 713.1364
 
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Names and Synonyms

Name of Substance

  • Tocopheryl retinoate

Synonyms

  • alpha-Tocopheryl retinoate
  • Toco-retinoate
  • UNII-0WN694NBMM

Systematic Name

  • Retinoic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, (2R-(2R*(4R*,8R*)))-

Registry Numbers

CAS Registry Number

  • 40516-49-2

FDA UNII

  • 0WN694NBMM

System Generated Number

  • 0040516492

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

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C3=C(C)CCCC3(C)C)c(C)c(C)c2O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 2gm/kg (2000mg/kg) ENDOCRINE: OTHER CHANGES

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

ENDOCRINE: CHANGES IN THYMUS WEIGHT
Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 227, 1992.
mouse LD intraperitoneal > 4gm/kg (4000mg/kg) GASTROINTESTINAL: OTHER CHANGES

ENDOCRINE: OTHER CHANGES

LIVER: OTHER CHANGES
Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 227, 1992.
mouse LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #3878202,
rat LD intravenous > 2gm/kg (2000mg/kg) KIDNEY, URETER, AND BLADDER: HEMATURIA

LIVER: OTHER CHANGES

ENDOCRINE: OTHER CHANGES
Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 227, 1992.
rat LD oral > 2gm/kg (2000mg/kg) GASTROINTESTINAL: OTHER CHANGES

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 227, 1992.
rat LD subcutaneous > 2gm/kg (2000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: OTHER CHANGES
Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 227, 1992.