Compound Summary
cotinine
Compound Information
cotinine
Compound Name: | cotinine |
Compound CID: | 854019 |
Synonyms: | cotinine (-)-Cotinine 486-56-6 (S)-Cotinine Cotinina More... |
Iupac Name: | (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one |
InChI: | InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 |
InChIKey: | UIKROCXWUNQSPJ-VIFPVBQESA-N |
Canonical Smiles: | CN1C(CCC1=O)C2=CN=CC=C2 |
Isomeric Smiles: | CN1[C@@H](CCC1=O)C2=CN=CC=C2 |
Molecular Weight: | 176.21 |
Molecular Formula: | C10H12N2O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
cotinine
Molecular Weight: | 176.21 |
Molecular Formula: | C10H12N2O |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 13 |
Complexity: | 205 |
Synonyms
cotinine
| cotinine | cotinine |
|---|---|
cotinine |
(-)-Cotinine |
486-56-6 |
(S)-Cotinine |
Cotinina |
Cotininum |
(S)-(-)-Cotinine |
(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one |
Cotinine (-) |
(S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one |
2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)- |
UNII-K5161X06LL |
(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone |
NIH 10498 |
(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one |
Nicotine related compound c |
CHEBI:68641 |
(S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone |
K5161X06LL |
MFCD00077696 |
S-(-)-Cotinine |
S(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidone |
(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one |
DSSTox_CID_27576 |
DSSTox_RID_82428 |
DSSTox_GSID_47576 |
BRD4010 |
BRD-4010 |
Cotinine INN |
SMR000449278 |
Cotininum INN-Latin |
SR-01000075768 |
Cotinina INN-Spanish |
CCRIS 7625 |
HSDB 7805 |
NCGC00093739-04 |
(5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone |
CAS-486-56-6 |
Prestwick_134 |
EINECS 207-634-9 |
BRN 0083099 |
Spectrum_001984 |
Nicotine EP Impurity C |
Prestwick0_000082 |
Prestwick1_000082 |
Prestwick2_000082 |
Prestwick3_000082 |
Spectrum3_000700 |
Spectrum4_001793 |
Spectrum5_000465 |
NICOTINE IMPURITY C |
bmse000577 |
(-)-Cotinine, 98% |
Lopac0_000285 |
SCHEMBL49060 |
BSPBio_000004 |
BSPBio_002459 |
KBioGR_002368 |
KBioSS_002550 |
5-24-02-00504 (Beilstein Handbook Reference) |
MLS000758262 |
MLS001423950 |
DivK1c_000861 |
SPECTRUM1500208 |
SPBio_001943 |
(-)-Cotinine, >=98% |
BPBio1_000006 |
CHEMBL578211 |
MEGxp0_001870 |
DTXSID1047576 |
ACon1_000202 |
KBio1_000861 |
KBio2_002541 |
KBio2_005109 |
KBio2_007677 |
KBio3_001679 |
NINDS_000861 |
US8609708, 91 Cotinine |
HMS1568A06 |
HMS1920A14 |
HMS2051A15 |
HMS2091G22 |
HMS2095A06 |
HMS2232F15 |
HMS3260J12 |
Pharmakon1600-01500208 |
ZINC402766 |
(-)-Cotinine, analytical standard |
HY-B1178 |
Tox21_111219 |
Tox21_300615 |
Tox21_500285 |
4205AE |
BBL102262 |
BDBM50370573 |
NIH-10498 |
NSC756704 |
s9339 |
STL556061 |
AKOS007930814 |
Tox21_111219_1 |
(-)-Cotinine 1.0 mg/ml in Methanol |
CCG-100799 |
CS-4787 |
LP00285 |
MCULE-8421169764 |
NC00049 |
NSC-756704 |
SDCCGMLS-0066565.P001 |
SDCCGSBI-0050273.P004 |
IDI1_000861 |
NCGC00093739-08 |
NCGC00093739-13 |
NCGC00093739-20 |
NCGC00254396-01 |
NCGC00260970-01 |
AS-50387 |
ST057157 |
SBI-0050273.P003 |
AM20061246 |
B7277 |
EU-0100285 |
(-)-Cotinine 100 microg/mL in Acetonitrile |
C 5923 |
P10066 |
AB00053721_08 |
(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one |
A827581 |
Q421177 |
SR-01000075768-1 |
SR-01000075768-5 |
SR-01000075768-6 |
BRD-K94144010-001-04-8 |
BRD-K94144010-001-05-5 |
BRD-K94144010-001-09-7 |
(-)-Cotinine solution, drug standard, 1.0 mg/mL in methanol |
2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)- (9CI) |
(5S)-1-Methyl-5-(pyridin-3-yl)pyrrolidin-2-one ((-)-Cotinine) |
(-)-Cotinine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material |
Nicotine Related Compound C, United States Pharmacopeia (USP) Reference Standard |
Cotinine; Nicotine USP Related Compound C; (5S)-1-Methyl-5-(pyridin-3-yl)pyrrolidin-2-one; (S)-(-)-1-Methyl-5-(3-pyridiyl)-2- pyrrolidinone |
Experimental Data
cotinine
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
cotinine
Statistics Data
cotinine
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1.000000000000000 | 1 | 1 |
Statistics Data Visualization
cotinine
