trans-3′-Hydroxycotinine-O-glucuronide
-
trans-3′-Hydroxycotinine-O-glucuronide
structure -
-
CAS No:
132929-88-5
-
Formula:
C16H20N2O8
-
Chemical Name:
trans-3′-Hydroxycotinine-O-glucuronide
-
Synonyms:
β-D-Glucopyranosiduronic acid,(3R,5S)-1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl;β-D-Glucopyranosiduronic acid,1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl,(3R-trans)-;(3R,5S)-1-Methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl β-D-glucopyranosiduronic acid;trans-3′-Hydroxycotinine-O-glucuronide;1213257-66-9
- Categories:
-
CAS No:
Description
White SolidChEBI: A beta-D-glucosiduronic acid that is trans-3-hydroxycotinine in which the hydroxy hydrogen is replaced by a beta-D-glucuronyl residue.
Trans-3-hydroxycotinine beta-D-glucuronide is a beta-D-glucosiduronic acid that is trans-3-hydroxycotinine in which the hydroxy hydrogen is replaced by a beta-D-glucuronyl residue. It has a role as a human urinary metabolite and a human xenobiotic metabolite. It is a beta-D-glucosiduronic acid, a member of pyridines and a member of pyrrolidin-2-ones. It derives from a trans-3-hydroxycotinine. It is a conjugate acid of a trans-3-hydroxycotinine beta-D-glucuronide(1-).
Characteristics
149.65000
-1.79990
1.58±0.1 g/cm3(Predicted)
180-182°C
699.2±55.0 °C(Predicted)
376.7ºC
1.652
Hygroscopic, -20°C Freezer, Under Inert Atmosphere
1.6E-20mmHg at 25°C
trans-3′-Hydroxycotinine-O-glucuronide Use and Manufacturing
A Nicotine (N412420) metabolite. Carcinogen
Computed Properties
Molecular Weight:368.34
XLogP3:-1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:368.12196560
Monoisotopic Mass:368.12196560
Topological Polar Surface Area:150
Heavy Atom Count:26
Complexity:546
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
5'-deoxy-5'-thioinosine 5'-monophosphate
21959-63-7
-
1-(2-Deoxy-β-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone
22003-30-1
-
5'-azacytidine5'-monophosphate
2226-72-4
-
Decarboxylated AdoMet Formula
22365-13-5
-
2′-Deoxy-6-thioinosine Formula
2239-64-7
-
2,2'-Anhydro-5-methyluridine Formula
22423-26-3
-
Quercetin 3-glucuronide Structure
22688-79-5
-
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one Structure
22882-02-6
-
What is Sucrose
57-50-1
-
What is C18Dihydroceramide
2304-80-5
trans-3′-Hydroxycotinine-O-glucuronide
SDSRequest for Quotation