EcoDrugPlus


Synonyms	NSC-97238 Nicotine (as bitartrate) Nicotine acid tartrate dihydrate Nicotine bitartrate Nicotine bitartrate anhydrous Nicotine bitartrate dihydrate Nicotine hydrogen-l-tartrate
Status
Molecule Category	Salt-form
UNII	R7M676M8YV
Parent Compound:	NICOTINE

Synonyms

NSC-97238

Nicotine (as bitartrate)

Nicotine acid tartrate dihydrate

Nicotine bitartrate

Nicotine bitartrate anhydrous

Nicotine bitartrate dihydrate

Nicotine hydrogen-l-tartrate

Status

Molecule Category

Salt-form

UNII

R7M676M8YV

Parent Compound:

NICOTINE


InChI Key	LDMPZNTVIGIREC-CZEDPBFNSA-N
Smiles	CN1CCC[C@H]1c1cccnc1.O.O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O
InChI	InChI=1S/C10H14N2.2C4H6O6.2H2O/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;25-1(3(7)8)2(6)4(9)10;;/h2,4,6,8,10H,3,5,7H2,1H3;21-2,5-6H,(H,7,8)(H,9,10);2*1H2/t10-;;;;/m0..../s1

InChI Key

LDMPZNTVIGIREC-CZEDPBFNSA-N

Smiles

CN1CCC[C@H]1c1cccnc1.O.O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O

InChI

InChI=1S/C10H14N2.2C4H6O6.2H2O/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10;;/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t10-;;;;/m0..../s1

Property Name	Value
Molecular Formula	C18H30N2O14
Molecular Weight	498.44
AlogP	1.85
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	16.13
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C18H30N2O14

Molecular Weight

498.44

AlogP

1.85

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

16.13

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

12.0

Resources	Reference
ChEMBL	CHEMBL3989563
FDA SRS	R7M676M8YV
PubChem	2735102

Resources

Reference

ChEMBL

CHEMBL3989563

FDA SRS

R7M676M8YV

PubChem

2735102

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

NICOTINE BITARTRATE

Structure

Physicochemical Descriptors

Cross References