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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C10H14N2.C6H8O7
Molecular Weight 516.5866
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICOTINE HEMICITRATE

SMILES

CN1CCC[C@H]1C2=CC=CN=C2.CN3CCC[C@H]3C4=CC=CN=C4.OC(=O)CC(O)(CC(O)=O)C(O)=O

InChI

InChIKey=YUYVXGFHICNTBI-RCWTXCDDSA-N
InChI=1S/2C10H14N2.C6H8O7/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t2*10-;/m00./s1

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
NICOTINE HEMICITRATE
Common Name English
NICOTINE, CITRATE (2:1)
Common Name English
PYRIDINE, 3-((2S)-1-METHYL-2-PYRROLIDINYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (2:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50916708
Created by admin on Sat Dec 16 14:18:27 GMT 2023 , Edited by admin on Sat Dec 16 14:18:27 GMT 2023
PRIMARY
PUBCHEM
44152605
Created by admin on Sat Dec 16 14:18:27 GMT 2023 , Edited by admin on Sat Dec 16 14:18:27 GMT 2023
PRIMARY
CAS
94006-00-5
Created by admin on Sat Dec 16 14:18:27 GMT 2023 , Edited by admin on Sat Dec 16 14:18:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
301-336-3
Created by admin on Sat Dec 16 14:18:27 GMT 2023 , Edited by admin on Sat Dec 16 14:18:27 GMT 2023
PRIMARY
FDA UNII
LSV6GBW93D
Created by admin on Sat Dec 16 14:18:27 GMT 2023 , Edited by admin on Sat Dec 16 14:18:27 GMT 2023
PRIMARY