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| CAS Number | 486-56-6 |
| Catalog Number | AG00DEPD(AGN-PC-0OAVQ4) |
| Chemical Name | (-)-Cotinine |
| EC Number | 207-634-9 |
| 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 |
| InChI Key | UIKROCXWUNQSPJ-VIFPVBQESA-N |
| MDL Number | MFCD00077696 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| NSC Number | 756704 |
| SMILES | O=C1N(C)[C@H](C2=CC=CN=C2)CC1 |
| UNII | K5161X06LL |
| Synonyms | Cotinine,
Scotine,
cotinine,
(-)-Cotinine,
486-56-6,
Cotinina,
Cotininum,
(S)-Cotinine,
(S)-(-)-Cotinine,
(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one,
Cotinine (-),
UNII-K5161X06LL,
(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone,
2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-,
MFCD00077696,
CHEBI:68641,
(S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone,
UIKROCXWUNQSPJ-VIFPVBQESA-N,
K5161X06LL,
Cotinine [INN],
Cotininum [INN-Latin],
Cotinina [INN-Spanish],
S(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidone,
(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one,
(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one,
DSSTox_CID_27576,
DSSTox_RID_82428,
DSSTox_GSID_47576,
CCRIS 7625,
BRD4010,
BRD-4010,
EINECS 207-634-9,
NIH 10498,
BRN 0083099,
SMR000449278,
SR-01000075768,
s-cotinine,
HSDB 7805,
NCGC00093739-04,
CAS-486-56-6,
Prestwick_134,
AC1LGYRL,
Spectrum_001984,
(S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one,
(S)-(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone,
Prestwick0_000082,
Prestwick1_000082,
Prestwick2_000082,
Prestwick3_000082,
Spectrum3_000700,
Spectrum4_001793,
Spectrum5_000465,
NICOTINE IMPURITY C,
bmse000577,
(-)-Cotinine, 98%,
(5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone,
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,
OR7251T,
NINDS_000861,
US8609708, 91 Cotinine,
HMS1568A06,
HMS1920A14,
HMS2051A15,
HMS2091G22,
HMS2095A06,
HMS2232F15,
HMS3260J12,
Pharmakon1600-01500208,
ZINC402766,
(-)-Cotinine, analytical standard,
HY-B1178,
ZX-AT017484,
Tox21_111219,
Tox21_300615,
Tox21_500285,
4205AE,
BBL102262,
BDBM50370573,
BN0830,
NIH-10498,
NSC756704,
STL556061,
AKOS007930814,
Tox21_111219_1,
(-)-Cotinine 1.0 mg/ml in Methanol,
CCG-100799,
CS-4787,
FCH3491801,
LP00285,
MCULE-8421169764,
NC00049,
NSC-756704,
PB32127,
SB10317,
SDCCGMLS-0066565.P001,
IDI1_000861,
NCGC00093739-08,
NCGC00093739-13,
NCGC00254396-01,
NCGC00260970-01,
AK165303,
AS-50387,
CPD000449278,
SAM001247007,
ST057157,
ZB012942,
SBI-0050273.P003,
DB-070947,
AM20061246,
B7277,
EU-0100285,
FT-0665182,
FT-0695369,
C 5923,
Q-1537,
AB00053721_08,
(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one,
A827581,
SR-01000075768-1,
SR-01000075768-5,
SR-01000075768-6,
BRD-K94144010-001-04-8,
BRD-K94144010-001-05-5,
BRD-K94144010-001-09-7,
I14-105437,
(-)-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,
Scotine,
S-(-)-Cotinine,
-COTININE,
COTININE FUMARATE,
D0TY5N,
C10H12N2O,
C10-H12-N2-O,
CID854019,
n-methyl-2-(3-pyridyl)-5-pyrrolidone,
S-(-)-Cotinine, 98% - 1G 1g,
D003367,
2-pirrolidinona, 1-metil-5-(3-piridinil)-, (5s)-,
2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-,
15569-85-4,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
| Symbol: | |
| Hazard Class | \N |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | \N |
| Precautionary statements | P280-P301+P312+P330-P304+P340+P312-P305+P351+P338-P337+P313 |
| UN Code | UN 1230 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
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| Test: | Result: |

