U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C37H55ClO4
Molecular Weight 599.283
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOCOFENOXATE

SMILES

CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(OC(=O)COC3=CC=C(Cl)C=C3)=C2C

InChI

InChIKey=BSKVVWMQRIUXTP-UHFFFAOYSA-N
InChI=1S/C37H55ClO4/c1-25(2)12-9-13-26(3)14-10-15-27(4)16-11-22-37(8)23-21-33-30(7)35(28(5)29(6)36(33)42-37)41-34(39)24-40-32-19-17-31(38)18-20-32/h17-20,25-27H,9-16,21-24H2,1-8H3

HIDE SMILES / InChI

Molecular Formula C37H55ClO4
Molecular Weight 599.283
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Tocofenoxate is a semisynthetic tocopherol derivative. Vitamin E supplement.

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:49:05 GMT 2023
Edited
by admin
on Fri Dec 15 16:49:05 GMT 2023
Record UNII
1IM68132B0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOCOFENOXATE
INN  
INN  
Official Name English
ALL-RAC-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANYL (P-CHLOROPHENOXY)ACETATE
Common Name English
J2.404.187E
Code English
tocofenoxate [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C942
Created by admin on Fri Dec 15 16:49:05 GMT 2023 , Edited by admin on Fri Dec 15 16:49:05 GMT 2023
Code System Code Type Description
PUBCHEM
68807
Created by admin on Fri Dec 15 16:49:05 GMT 2023 , Edited by admin on Fri Dec 15 16:49:05 GMT 2023
PRIMARY
FDA UNII
1IM68132B0
Created by admin on Fri Dec 15 16:49:05 GMT 2023 , Edited by admin on Fri Dec 15 16:49:05 GMT 2023
PRIMARY
INN
4394
Created by admin on Fri Dec 15 16:49:05 GMT 2023 , Edited by admin on Fri Dec 15 16:49:05 GMT 2023
PRIMARY
CAS
61343-44-0
Created by admin on Fri Dec 15 16:49:05 GMT 2023 , Edited by admin on Fri Dec 15 16:49:05 GMT 2023
PRIMARY
EVMPD
SUB11138MIG
Created by admin on Fri Dec 15 16:49:05 GMT 2023 , Edited by admin on Fri Dec 15 16:49:05 GMT 2023
PRIMARY
NCI_THESAURUS
C152672
Created by admin on Fri Dec 15 16:49:05 GMT 2023 , Edited by admin on Fri Dec 15 16:49:05 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105793
Created by admin on Fri Dec 15 16:49:05 GMT 2023 , Edited by admin on Fri Dec 15 16:49:05 GMT 2023
PRIMARY
SMS_ID
100000077727
Created by admin on Fri Dec 15 16:49:05 GMT 2023 , Edited by admin on Fri Dec 15 16:49:05 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY