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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26O4
Molecular Weight 342.4287
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6,8-NONATETRAENOIC ACID, 9-(3-(HYDROXYMETHYL)-4-METHOXY-2,6-DIMETHYLPHENYL)-3,7-DIMETHYL-, (Z,E,E,E)-

SMILES

COC1=C(CO)C(C)=C(\C=C\C(C)=C\C=C\C(C)=C/C(O)=O)C(C)=C1

InChI

InChIKey=RLQSWUCIYPVVGO-FKNMPVQUSA-N
InChI=1S/C21H26O4/c1-14(7-6-8-15(2)11-21(23)24)9-10-18-16(3)12-20(25-5)19(13-22)17(18)4/h6-12,22H,13H2,1-5H3,(H,23,24)/b8-6+,10-9+,14-7+,15-11-

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2,4,6,8-NONATETRAENOIC ACID, 9-(3-(HYDROXYMETHYL)-4-METHOXY-2,6-DIMETHYLPHENYL)-3,7-DIMETHYL-, (Z,E,E,E)-
Systematic Name English
ACITRETIN METABOLITE III
Common Name English
Code System Code Type Description
PUBCHEM
154731619
Created by admin on Sat Dec 16 17:28:36 GMT 2023 , Edited by admin on Sat Dec 16 17:28:36 GMT 2023
PRIMARY
CAS
121785-73-7
Created by admin on Sat Dec 16 17:28:36 GMT 2023 , Edited by admin on Sat Dec 16 17:28:36 GMT 2023
PRIMARY
FDA UNII
ZE60R9J1EH
Created by admin on Sat Dec 16 17:28:36 GMT 2023 , Edited by admin on Sat Dec 16 17:28:36 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ACITRETIN
NIH
NCATS
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