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

Details

Stereochemistry ACHIRAL
Molecular Formula C29H30O3
Molecular Weight 426.5467
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADAPALENE METHYL ESTER

SMILES

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(OC)C=C3)C45CC6CC(CC(C6)C4)C5

InChI

InChIKey=PGXNMQBGOVUZNC-UHFFFAOYSA-N
InChI=1S/C29H30O3/c1-31-27-8-7-24(14-26(27)29-15-18-9-19(16-29)11-20(10-18)17-29)22-3-4-23-13-25(28(30)32-2)6-5-21(23)12-22/h3-8,12-14,18-20H,9-11,15-17H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
ADAPALENE METHYL ESTER
Common Name English
ADAPALENE RELATED COMPOUND B [USP-RS]
Common Name English
ADAPALENE RELATED COMPOUND B [USP IMPURITY]
Common Name English
METHYL 6-(3-(1-ADAMANTYL)-4-METHOXYPHENYL)-2-NAPHTHOATE
Systematic Name English
2-NAPHTHALENECARBOXYLIC ACID, 6-(4-METHOXY-3-TRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YLPHENYL)-, METHYL ESTER
Systematic Name English
METHYL 6-(4-METHOXY-3-TRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YLPHENYL)-2-NAPHTHALENECARBOXYLATE
Systematic Name English
METHYL 6-(3-(ADAMANTAN-1-YL)-4-METHOXYPHENYL)-2-NAPHTHOATE
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1011721
Created by admin on Sat Dec 16 11:26:43 GMT 2023 , Edited by admin on Sat Dec 16 11:26:43 GMT 2023
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PUBCHEM
10526466
Created by admin on Sat Dec 16 11:26:43 GMT 2023 , Edited by admin on Sat Dec 16 11:26:43 GMT 2023
PRIMARY
FDA UNII
W05XV3TPP3
Created by admin on Sat Dec 16 11:26:43 GMT 2023 , Edited by admin on Sat Dec 16 11:26:43 GMT 2023
PRIMARY
CAS
106685-41-0
Created by admin on Sat Dec 16 11:26:43 GMT 2023 , Edited by admin on Sat Dec 16 11:26:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID00441277
Created by admin on Sat Dec 16 11:26:43 GMT 2023 , Edited by admin on Sat Dec 16 11:26:43 GMT 2023
PRIMARY