ANATABINE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H12N2
Molecular Weight	160.2157
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C1N[C@@H](CC=C1)C2=CN=CC=C2

InChI

InChIKey=SOPPBXUYQGUQHE-JTQLQIEISA-N

InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H12N2
Molecular Weight	160.2157
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neuronal acetylcholine receptor; alpha3/beta4 40 Target ID: CHEMBL1907594 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18187282	Interacts 323
inflammatory response 47 Target ID: GO:0006954 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23178521	Inhibitor 8297

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:36:43 GMT 2023` Edited by `admin` on `Fri Dec 15 19:36:43 GMT 2023`
Record UNII	5PP654XB7D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANATABINE

Common Name

English

NICOTINE RESINATE IMPURITY A [EP IMPURITY]

Common Name

English

NICOTINE DITARTRATE DIHYDRATE IMPURITY A [EP IMPURITY]

Common Name

English

ANATABINE, (-)-

Common Name

English

(S)-(-)-ANATABINE

Common Name

English

(S)-ANATABINE

Common Name

English

NICOTINE IMPURITY A [EP IMPURITY]

Common Name

English

Anatabine [WHO-DD]

Common Name

English

2,3'-BIPYRIDINE, 1,2,3,6-TETRAHYDRO-, (2S)-

Systematic Name

English

NICOTINE RELATED COMPOUND A [USP IMPURITY]

Common Name

English

ANATABINE [MI]

Common Name

English

(-)-ANATABINE

Common Name

English

(2S)-1,2,3,6-TETRAHYDRO-2,3'-BIPYRIDINE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C221