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Details

Stereochemistry RACEMIC
Molecular Formula C28H28O4
Molecular Weight 428.5195
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYADAPALENE

SMILES

COC1=CC=C(C=C1C23CC4CC(CC(O)(C4)C2)C3)C5=CC=C6C=C(C=CC6=C5)C(O)=O

InChI

InChIKey=ZVFMDETWRVTMJF-UHFFFAOYSA-N
InChI=1S/C28H28O4/c1-32-25-7-6-22(20-2-3-21-10-23(26(29)30)5-4-19(21)9-20)11-24(25)27-12-17-8-18(13-27)15-28(31,14-17)16-27/h2-7,9-11,17-18,31H,8,12-16H2,1H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C28H28O4
Molecular Weight 428.5195
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:01:33 UTC 2023
Edited
by admin
on Sat Dec 16 07:01:33 UTC 2023
Record UNII
6482CJV0PZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYADAPALENE
Common Name English
HYDROXYADAPALENE [USP IMPURITY]
Common Name English
6-(3-(3-HYDROXYADAMANT-1-YL)-4-METHOXYPHENYL)-2-NAPHTHOIC ACID
Common Name English
6-(3-(3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)-4-METHOXYPHENYL)-2-NAPHTHALENECARBOXYLIC ACID
Systematic Name English
ADAPALENE IMPURITY B [EP IMPURITY]
Common Name English
(±)-6-(3-(3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)-4-METHOXYPHENYL)NAPHTHALENE-2-CARBOXYLIC ACID
Systematic Name English
2-NAPHTHALENECARBOXYLIC ACID, 6-(3-(3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)-4-METHOXYPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
1346599-76-5
Created by admin on Sat Dec 16 07:01:33 UTC 2023 , Edited by admin on Sat Dec 16 07:01:33 UTC 2023
PRIMARY
PUBCHEM
71587982
Created by admin on Sat Dec 16 07:01:33 UTC 2023 , Edited by admin on Sat Dec 16 07:01:33 UTC 2023
PRIMARY
FDA UNII
6482CJV0PZ
Created by admin on Sat Dec 16 07:01:33 UTC 2023 , Edited by admin on Sat Dec 16 07:01:33 UTC 2023
PRIMARY
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