U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of ANATABINE

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

Targets

PubMed

PubMed

TitleDatePubMed
Nicotine-related alkaloids and metabolites as inhibitors of human cytochrome P-450 2A6.
2004 Feb 15
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
  • Download
Name Type Language
ANATABINE
MI   WHO-DD  
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
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
DSLD 213 (Number of products:11)
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
Code System Code Type Description
SMS_ID
100000182814
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY
EVMPD
SUB197096
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID901016110
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY
PUBCHEM
11388
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY
FDA UNII
5PP654XB7D
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY
WIKIPEDIA
ANATABINE
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY
MERCK INDEX
m1890
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY Merck Index
MESH
C012737
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY
NCI_THESAURUS
C114277
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY NCIT
CAS
581-49-7
Created by admin on Fri Dec 15 19:36:43 GMT 2023 , Edited by admin on Fri Dec 15 19:36:43 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
PARENT -> CONSTITUENT ALWAYS PRESENT
ANATABINE (ug/cigarette) Canadian = 477.1 SD(64.1) Imported = 398.0 SD(93.4)
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY