UCSF

ZINC00001798

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 12 Yes

Popular Name: nicotine nicotine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22083-74-5 , 25162-00-9 , 25162-00-9; 69782-38-3 , 54-11-5 , 6019-06-3 , 65-31-6 , 6505-86-8 , 69980-24-1 , 75202-10-7 , [29790-52-1] , [54-11-5] , [65-30-5]

Other Names:

(−

(+)-NICOTINE

(+)-nicotine; (R)-3-(1-methyl-2-pyrrolidinyl)pyridine; d-nicotine; pseudonicotine

(+-)-nicotine; (R,S)-nicotine; (RS)-nicotine; Nicotin; Nikotin

(+/-)-Nicotine

(+/-)-NICOTINE-METHYL-D3

(-)-Nicotine

(-)-Nicotine solution

(2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine

(R)-nicotine

(R)-Nicotine; 2'-beta-H-Nicotine; 25162-00-9; C16386; D-Nicotine

(R)-nicotine; R-NICOTINE

(S)-(-)-Nicotine

(S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE

(S)-(-)-Nicotine, 99%

(S)-3-(1-methylpyrrolidin-2-yl)pyridine

(S)-3-(N-methylpyrrolidin-2-yl)pyridine

(S)-Nicotine

)-1-Methyl-2-(3-pyridyl)pyrrolidine

)-Nicotine

)-Nicotine solution

1uw6

3-(1-Methyl-2-pyrrolidinyl)pyridine dihydrochloride (S)-; LS-131839; Nicotine dihydrochloride; Pyridine, 3-((2S)-1-methyl-2-pyrrolidinyl)-, dihydrochloride; Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, dihydrochloride, (S)-

3-(1-methylpyrrolidin-2-yl)pyridine

3-(2-(N-methylpyrrolidinyl))pyridine

3-(N-Methylpyrollidino)pyridine

3-(N-Methylpyrrolidino)pyridine

3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

36733_FLUKA

36733_RIEDEL

434F7990-3240-4A43-ACEC-E6CC1E495FA0

46343_FLUKA

46343_RIEDEL

54-11-5

650

AC1L3I79

AC1Q3ZOC

AI3-03424

BB_NC-0777

beta-Pyridyl-alpha-N-methyl pyrrolidine

BIDD:GT0599

Black Leaf

Black Leaf 40

bmse000105

BRD-K05395900-322-02-1

C00745

Campbell's Nico-Soap

Caswell No. 597

CCRIS 1637

CHEBI:17688

CHEMBL3

CID89594

Commit

Copper, (3-(1-methyl-2-pyrrolidinyl)pyridine-N(sup 1))bis(thiocyanato-S)-, (S)-; LS-54905; Nicotine, compd. with copper(II) thiocyanate (1:1)

CPD000059074

D03365

DAP000175

Destruxol Orchid Spray

EINECS 200-193-3

Emo-Nik

ENT 3,424

EPA Pesticide Chemical Code 056702

Flux Maag

Fumetobac

Habitrol

Habitrol (TN)

HSDB 1107

http://www.selleckchem.com/products/nicotiN/A

L(-)-nicotine

L-Nicotine

L-Nicotine;Nicotine Alkaloid

LS-162876; Nicotine, compd. with zinc thiocyanate (1:1); S-(3-(1-Methyl-2-pyrrolidinyl)pyridine)bis(thiocyanato)zinc; Zinc, (3-(1-methyl-2-pyrrolidinyl)pyridine)bis(thiocyanato)-, (S)-

LS-193794

LS-202

LS-96512

Mach-Nic

MFCD00006369

MFCD00065370

MFCD00242711

Micotine

MLS001055457

MLS001335905

MolPort-000-744-731

N3876_SIGMA

N5511_FLUKA

N5511_SIGMA

NCGC00090693-01

NCGC00090693-02

NCGC00090693-03

NCGC00090693-04

NCGC00090693-05

NCGC00090693-06

NCGC00090693-07

NCT

Niagara P.A. Dust

Nic-Sal

Nico-Dust

Nico-Fume

Nicocide

Nicoderm

Nicoderm Cq

Nicoderm Patch

Nicorette

Nicorette Plus

Nicotin

Nicotina

Nicotina [Italian]

Nicotine (compounds related to)

Nicotine (USP)

Nicotine Alkaloid

NICOTINE AND SALTS

nicotine ditartrate

NICOTINE DITARTRATE DIHYDRATE

Nicotine Patch

Nicotine Polacrilex

nicotine replacement patch

Nicotine salicylate

Nicotine sulfate

Nicotine [BSI:ISO]

Nicotine [UN1654] [Poison]

Nicotine [USAN]

nicotinesulfate

Nicotrol

Nicotrol Inhaler

Nicotrol Ns

Nictoine patch

Nikotin

Nikotin [German]

Nikotyna

Nikotyna [Polish]

NSC 5065

NSC97238

Ortho N-4 Dust

Ortho N-5 Dust

PDSP1_000113

PDSP1_000465

PDSP2_000463

PDSP2_000555

Prostep

Pyridine, 3-((2S)-1-methyl-2-pyrrolidinyl)-

Pyridine, 3-(1-methyl-2-pyrrolidinyl)-

RCRA waste no. P075

RCRA waste number P075

SAM002564224

SDCCGMLS-0066911.P001

SMR000059074

Tendust

Transdermal Nicotine

UN1654

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.09 5.79 -34.08 1 2 1 17 163.244 1 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.591 Bitter DB
Melting_Point 79? Alfa-Aesar
Melting_Point 79° Alfa-Aesar
Boiling_Point 245-248? Alfa-Aesar
Boiling_Point 245-248° Alfa-Aesar
ALOGPS_SOLUBILITY 9.33e+01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks
BP 91 / 3 TCI
Purity 92-98% APIChem
purity 95 Enamine Building Blocks
UniProt Database Links ACH23_CAEEL; ACH8_CAEEL; CAS2_CONST; CP1A2_HUMAN; CP2A6_HUMAN; DEND_RAT; DHPON_ARTNI; GNAT3_BOVIN; HDNO_ARTOX; HSPA_PSEPU; HSPB_PSEPU; LYNX1_MACMU; LYNX1_MOUSE; MABO1_ARTNI; MABO2_ARTNI; MOODY_DROME; NBOR_ARTNI; NICA_PSEPU; NIT_ARTNI; NXL1A_BUNMU; NXL1_NA ChEBI
PUBCHEM_PATENT_ID EP0630904A1; WO1994004547A1 IBM Patent Data
Patent Database Links EP0814084; EP0821959; EP0857725; EP0881224; EP0891978; EP0924205; EP0955301; EP0974363; EP1055665; EP1072254; EP1074549; EP1078637; EP1083178; EP1088550; EP1130018; EP1176143; EP1178045; EP1178047; EP1178048; EP1190721; EP1211247; EP1213291; EP1231212; EP ChEBI
Target Insulin(P01308)&Phosphoenolpyruvate carboxykinase, cytosolic [GTP](P35558)&Glucokinase(P35557)&Tumor necrosis factor(P01375)&Prostaglandin G/H synthase 2(P35354)&Indolethylamine N-methyltransferase(O95050)&Somatotropin(P01241)&Hormone-sensitive lipase(Q05 Herbal Ingredients Targets
Target Others Selleck Chemicals

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )