ADAPALENE METHYL ESTER

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 Search

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

Molecular Formula	C29H30O3
Molecular Weight	426.5467
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:26:43 UTC 2023` Edited by `admin` on `Sat Dec 16 11:26:43 UTC 2023`
Record UNII	W05XV3TPP3
Record Status	`Validated (UNII)`
Record Version

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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