Oleyl Adapalenate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H62O3
Molecular Weight	662.9827
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCC\C=C/CCCCCCCCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(OC)C=C3)C45CC6CC(CC(C6)C4)C5

InChI

InChIKey=PAMUYVOXXQOZMG-KHPPLWFESA-N

InChI=1S/C46H62O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-49-45(47)42-22-21-38-29-39(19-20-40(38)30-42)41-23-24-44(48-2)43(31-41)46-32-35-26-36(33-46)28-37(27-35)34-46/h10-11,19-24,29-31,35-37H,3-9,12-18,25-28,32-34H2,1-2H3/b11-10-

HIDE SMILES / InChI

Molecular Formula	C46H62O3
Molecular Weight	662.9827
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:19:12 GMT 2025` Edited by `admin` on `Wed Apr 02 20:19:12 GMT 2025`
Record UNII	GRS4SNP9WC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Oleyl Adapalenate

Official Name

English

Adapinoid

Preferred Name

English

(9Z)-Octadecen-1-yl 6-(4-methoxy-3-tricyclo[3.3.1.1<sup>3,7</sup>]dec-1-ylphenyl)-2-naphthalenecarboxylate

Systematic Name

English

2-Naphthalenecarboxylic acid, 6-(4-methoxy-3-tricyclo[3.3.1.1<sup>3,7</sup>]dec-1-ylphenyl)-, (9Z)-octadecen-1-yl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

GRS4SNP9WC

Created by admin on Wed Apr 02 20:19:12 GMT 2025 , Edited by admin on Wed Apr 02 20:19:12 GMT 2025

PRIMARY

CAS

2797026-98-1

Created by admin on Wed Apr 02 20:19:12 GMT 2025 , Edited by admin on Wed Apr 02 20:19:12 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY