Basic information
- CAS
17114-40-8- Standard SMILES
O=C1CCC(c2cccnc2)N1- InChIKey
FXFANIORDKRCCA-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Overview
Norcotinine is a member of pyridines and a member of pyrrolidines.
Names & identifiers
- Preferred name
- Norcotinine
- IUPAC
- 5-pyridin-3-ylpyrrolidin-2-one
- English name
- 5-pyridin-3-ylpyrrolidin-2-one
- Molecular formula
- C9H10N2O
- Molecular weight
- 0
Names & synonyms
norcotinine5-(PYRIDIN-3-YL)PYRROLIDIN-2-ONE17114-40-8RefChem:390759(R,S)-Norcotinine17708-87-15-pyridin-3-ylpyrrolidin-2-one5-(3-pyridinyl)-2-pyrrolidinone5-Pyridin-3-yl-pyrrolidin-2-one(S)-5-Pyridin-3-yl-pyrrolidin-2-one2-Pyrrolidinone, 5-(3-pyridinyl)-(R)-5-Pyridin-3-yl-pyrrolidin-2-one
Show more names
(RS)-Norcotinine(+/-)-Norcotinine(R,S)-Norcotinine ( 1.0 mg/mL in Methanol)(+/-)-Demethylcotinine(5RS)-5-(Pyridin-3-yl)pyrrolidin-2-one ((RS)-Norcotinine)rac-NorcotinineDesmethylcotinineS-Norcotinine
Database identifiers
- CAS
17114-40-8、17708-87-1- PubChem CID
- 413
- DTXSID
DTXSID10864736- ChEMBL
CHEMBL3126030- ChEBI
CHEBI:89406- EC Number
- 682-536-0、803-191-6
- Nikkaji
- J1.449.271B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H335-H319-H315-H302
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 3 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H332-H335-H319-H315-H302
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Pharmacology
Metabolism/MetabolitesNorcotinine is a known thirdhand smoke metabolite of Nicotine.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysNicotine Action Pathway
Applications
DescriptionNorcotinine is a metabolite of cotinine -- an alkaloid found in tobacco and the predominant metabolite of nicotine.
Suppliers17 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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