3-PYRIDINECARBOXYLIC ACID, 1-(4-METHYLPHENYL)ETHYL ESTER

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H15NO2
Molecular Weight	241.2851
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-PYRIDINECARBOXYLIC ACID, 1-(4-METHYLPHENYL)ETHYL ESTER

Structure Search

SMILES

CC(OC(=O)C1=CN=CC=C1)C2=CC=C(C)C=C2

InChI

InChIKey=VUICSPKQAQGLBU-UHFFFAOYSA-N

InChI=1S/C15H15NO2/c1-11-5-7-13(8-6-11)12(2)18-15(17)14-4-3-9-16-10-14/h3-10,12H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C15H15NO2
Molecular Weight	241.2851
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.genome.jp/dbget-bin/www_bget?drug+D03031

3-Pyridinecarboxylic acid, 1-(4-methylphenyl)ethyl ester is an choleretic agent.

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:23:24 GMT 2023` Edited by `admin` on `Sat Dec 16 07:23:24 GMT 2023`
Record UNII	OHE7QN34AK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-PYRIDINECARBOXYLIC ACID, 1-(4-METHYLPHENYL)ETHYL ESTER

Common Name

English

1-(4-METHYLPHENYL) ETHYL NICOTINATE [JAN]

Common Name

English

1- (4-METHYLPHENYL) ETHYL NICOTINATE [JAN]

Common Name

English

1-(4-METHYLPHENYL) ETHYL NICOTINATE

Common Name

English

1-(4-Methylphenyl)ethylnicotinate [WHO-DD]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80972054

Created by admin on Sat Dec 16 07:23:24 GMT 2023 , Edited by admin on Sat Dec 16 07:23:24 GMT 2023

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CAS

56614-95-0

Created by admin on Sat Dec 16 07:23:24 GMT 2023 , Edited by admin on Sat Dec 16 07:23:24 GMT 2023

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EVMPD

SUB194069

Created by admin on Sat Dec 16 07:23:24 GMT 2023 , Edited by admin on Sat Dec 16 07:23:24 GMT 2023

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FDA UNII

OHE7QN34AK

Created by admin on Sat Dec 16 07:23:24 GMT 2023 , Edited by admin on Sat Dec 16 07:23:24 GMT 2023

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SMS_ID

100000178341

Created by admin on Sat Dec 16 07:23:24 GMT 2023 , Edited by admin on Sat Dec 16 07:23:24 GMT 2023

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PUBCHEM

202235

Created by admin on Sat Dec 16 07:23:24 GMT 2023 , Edited by admin on Sat Dec 16 07:23:24 GMT 2023

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