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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14N2.2C6H8O7
Molecular Weight 546.4786
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICOTINE DICITRATE

SMILES

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

InChI

InChIKey=RLNVFOZAFUJKJH-XRIOVQLTSA-N
InChI=1S/C10H14N2.2C6H8O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C10H14N2
Molecular Weight 162.2316
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:31:44 UTC 2023
Edited
by admin
on Sat Dec 16 12:31:44 UTC 2023
Record UNII
F0PHZ04D78
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICOTINE DICITRATE
Common Name English
(S)-NICOTINE DICITRATE
Systematic Name English
PYRIDINE, 3-((2S)-1-METHYL-2-PYRROLIDINYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:2)
Systematic Name English
Code System Code Type Description
CAS
88660-51-9
Created by admin on Sat Dec 16 12:31:44 UTC 2023 , Edited by admin on Sat Dec 16 12:31:44 UTC 2023
PRIMARY
PUBCHEM
44148799
Created by admin on Sat Dec 16 12:31:44 UTC 2023 , Edited by admin on Sat Dec 16 12:31:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID20237235
Created by admin on Sat Dec 16 12:31:44 UTC 2023 , Edited by admin on Sat Dec 16 12:31:44 UTC 2023
PRIMARY
ECHA (EC/EINECS)
289-437-8
Created by admin on Sat Dec 16 12:31:44 UTC 2023 , Edited by admin on Sat Dec 16 12:31:44 UTC 2023
PRIMARY
FDA UNII
F0PHZ04D78
Created by admin on Sat Dec 16 12:31:44 UTC 2023 , Edited by admin on Sat Dec 16 12:31:44 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE