COTININE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H12N2O
Molecular Weight	176.2151
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of COTININE

Structure Search

SMILES

CN1[C@@H](CCC1=O)C2=CN=CC=C2

InChI

InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N

InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H12N2O
Molecular Weight	176.2151
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:37:35 UTC 2023` Edited by `admin` on `Fri Dec 15 15:37:35 UTC 2023`
Record UNII	K5161X06LL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

COTININE

Official Name

English

COTININE [MI]

Common Name

English

1-METHYL-5-(3-PYRIDINYL)-2-PYRROLIDINONE

Systematic Name

English

2-PYRROLIDINONE, 1-METHYL-5-(3-PYRIDINYL)-, (S)-

Systematic Name

English

NICOTINE RELATED COMPOUND C [USP-RS]

Common Name

English

NICOTINE IMPURITY C [EP IMPURITY]

Common Name

English

NICOTINE RESINATE IMPURITY C [EP IMPURITY]

Common Name

English

(-)-1-METHYL-5-(3-PYRIDYL)-2-PYRROLIDINONE

Systematic Name

English

NICOTINE RELATED COMPOUND C [USP IMPURITY]

Common Name

English

N-METHYL-2-(3-PYRIDYL)-5-PYRROLIDONE

Systematic Name

English

cotinine [INN]

Common Name

English

NICOTINE DITARTRATE DIHYDRATE IMPURITY C [EP IMPURITY]

Common Name

English

COTININE [HSDB]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C73579

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

Code System Code Type Description

DRUG CENTRAL

737

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

PRIMARY

WIKIPEDIA

COTININE

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

PRIMARY

HSDB

7805

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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EPA CompTox

DTXSID1047576

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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PUBCHEM

854019

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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ECHA (EC/EINECS)

207-634-9

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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MESH

D003367

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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CAS

486-56-6

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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SMS_ID

100000084251

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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CHEBI

68641

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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FDA UNII

K5161X06LL

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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INN

1625

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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RS_ITEM_NUM

1463348

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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MERCK INDEX

m3811

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

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Merck Index

NCI_THESAURUS

C70941

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

PRIMARY

ChEMBL

CHEMBL578211

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

PRIMARY

EVMPD

SUB06811MIG

Created by admin on Fri Dec 15 15:37:36 UTC 2023 , Edited by admin on Fri Dec 15 15:37:36 UTC 2023

PRIMARY

Related Record Type Details


					6ZAF060BHS

COTININE FUMARATE

SALT/SOLVATE -> PARENT


					FQ7X51Z02G

COTININE TARTRATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					6M3C89ZY6R

NICOTINE

PARENT -> METABOLITE

Comments:

Mediator Substance is AOX1

Related Record Type Details


					6M3C89ZY6R

NICOTINE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					6M3C89ZY6R

NICOTINE

PARENT -> IMPURITY


					R7M676M8YV

NICOTINE BITARTRATE

PARENT -> IMPURITY

Related Record Type Details


					K5161X06LL

COTININE

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC