BENZYL NICOTINATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H11NO2
Molecular Weight	213.2319
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYL NICOTINATE

Structure Search

SMILES

O=C(OCC1=CC=CC=C1)C2=CN=CC=C2

InChI

InChIKey=KVYGGMBOZFWZBQ-UHFFFAOYSA-N

InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2

HIDE SMILES / InChI

Molecular Formula	C13H11NO2
Molecular Weight	213.2319
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 `Fri Dec 15 15:18:20 UTC 2023` Edited by `admin` on `Fri Dec 15 15:18:20 UTC 2023`
Record UNII	S497LCF9C9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZYL NICOTINATE

Official Name

English

NICOTINIC ACID BENZYL ESTER [MI]

Common Name

English

BENZYL NICOTINATE [INCI]

Common Name

English

BENZYL NICOTINATE [JAN]

Common Name

English

Benzyl nicotinate [WHO-DD]

Common Name

English

BENZYL NICOTINATE [MART.]

Common Name

English

NICOTINIC ACID BENZYL ESTER

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

Code System Code Type Description

RXCUI

31767

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

PRIMARY

RxNorm

MESH

C025653

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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NCI_THESAURUS

C83549

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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DRUG CENTRAL

3379

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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CAS

94-44-0

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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SMS_ID

100000092407

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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EPA CompTox

DTXSID7046542

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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PUBCHEM

7191

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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EVMPD

SUB13026MIG

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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ChEMBL

CHEMBL209744

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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CHEBI

31268

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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FDA UNII

S497LCF9C9

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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DAILYMED

S497LCF9C9

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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MERCK INDEX

m7881

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

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Merck Index

ECHA (EC/EINECS)

202-332-3

Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023

PRIMARY

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