3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
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- CAS-Nr.
- 34834-67-8
- Englisch Name:
- 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
- Synonyma:
- Hydroxycotinine;Ccris 7628;trans-3’-Hydroxycotini;trans-3'-Hydroxy Cotinine;-Hydroxycotinine (cis-3’trans-3’-Hydroxycotinine solution;(3'R,5'S)-trans-3'-Hydroxynicotinine;trans-3'-Hydroxy Cotinine (1 mg/mL in Methanol);trans-3'-Hydroxy Cotinine (1.0 Mg/ML in Methanol);3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone
- CBNumber:
- CB51236009
- Summenformel:
- C10H12N2O2
- Molgewicht:
- 192.21
- MOL-Datei:
- 34834-67-8.mol
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3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Eigenschaften
- Schmelzpunkt:
- 107-109°C
- Siedepunkt:
- 416.5±45.0 °C(Predicted)
- Dichte
- 1.275±0.06 g/cm3(Predicted)
- Flammpunkt:
- 9℃
- storage temp.
- Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- L?slichkeit
- DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 13.02±0.40(Predicted)
- Farbe
- White to off-white
- Major Application
- cell analysis
clinical research
general analytical
life science and biopharma
metabolomics
- InChI
- InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1
- InChIKey
- XOKCJXZZNAUIQN-DTWKUNHWSA-N
- SMILES
- CN1[C@@H](C[C@@H](O)C1=O)C=2C=CC=NC2
Sicherheit
- Risiko- und Sicherheitserkl?rung
- Gefahreninformationscode (GHS)
| Kennzeichnung gef?hrlicher |
F,T |
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| R-S?tze: |
11-23/24/25-39/23/24/25 |
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| S-S?tze: |
16-36/37-45 |
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| RIDADR |
UN1230 - class 3 - PG 2 - Methanol, solution |
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| WGK Germany |
1 |
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| Speicherklasse |
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects |
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| Hazard Classifications |
Acute Tox. 3 Oral |
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| Bildanzeige (GHS) |
  
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| Alarmwort |
Achtung
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| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H225 |
Flüssigkeit und Dampf leicht entzündbar. |
Entzündbare Flüssigkeiten |
Kategorie 2 |
Achtung |
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P210,P233, P240, P241, P242, P243,P280, P303+ P361+P353, P370+P378,P403+P235, P501 |
| H370 |
Sch?digt die Organe. |
Spezifische Zielorgan-Toxizit?t (einmalige Exposition) |
Kategorie 1 |
Achtung |
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P260, P264, P270, P307+P311, P321,P405, P501 |
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| Sicherheit |
| P210 |
Von Hitze, hei?en Oberfl?chen, Funken, offenen Flammen und anderen Zündquellenarten fernhalten. Nicht rauchen. |
| P260 |
Dampf/Aerosol/Nebel nicht einatmen. |
| P280 |
Schutzhandschuhe/Schutzkleidung/Augenschutz tragen. |
| P301+P310 |
BEI VERSCHLUCKEN: Sofort GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen. |
| P311 |
GIFTINFORMATIONSZENTRUM/Arzt anrufen. |
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3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Chemische Eigenschaften,Einsatz,Produktion Methoden
Beschreibung
trans-
3’-
Hydroxycotinine (3HC) is a product of CYP2A6 metabolism of the primary nicotine metabolite, cotinine . Cotinine has a longer metabolic half-
life compared to 3HC (16 hours
vs. 5 hours). The ratio of 3HC to cotinine, termed the nicotine metabolite ratio, correlates with nicotine clearance from the body and is used as a biomarker of CYP2A6 activity. This measure of nicotine metabolism has been used to study tobacco and secondhand smoke exposure as well as to develop pharmacological intervention strategies for smoking cessation.
Chemische Eigenschaften
Off-White to Pale-Yellow Solid
Verwenden
A metabolite of Nicotine. Carcinogen.
Definition
ChEBI: An N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer).
Allgemeine Beschreibung
Trans-3′-Hydroxycotinine is a major nicotine metabolite excreted in the urine of smokers and users of other tobacco or nicotine products including cigars, chewing tobacco and snuff. This Certified Spiking Solution
is suitable for use in nicotine testing methods or clinical and diagnostic testing of nicotine biomarkers by LC-MS/MS or GC/MS.
3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.
Global( 44)Lieferanten
34834-67-8()Verwandte Suche:
- 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
- (3R,5S)-1-Methyl-3-hydroxy-5-(3-pyridyl)pyrrolidine-2-one
- (3R,5S)-3-Hydroxy-1-methyl-5-(3-pyridinyl)pyrrolidin-2-one
- (3'R,5'S)-trans-3'-Hydroxynicotinine
- 3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone
- Ccris 7628
- (3R,5S)-3-Hydroxy-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
- trans-3'-Hydroxy Cotinine (1.0 Mg/ML in Methanol)
- trans-3’-Hydroxycotinine solution
- -Hydroxycotinine (cis-3&rsquo
- 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R,5S)-
- (+)-TRANS-3'-HYDROXYCOTININE UNLABELED 100 UG/ML IN ACETONITRILE
- trans-3’-Hydroxycotini
- trans-3'-Hydroxy Cotinine
- Hydroxycotinine
- trans-3'-Hydroxy Cotinine (1 mg/mL in Methanol)
- 34834-67-8
- Chiral Reagents, Heterocycles, Metabolites & Impurities, Nicotine Derivatives, Mutagenesis Research Chemicals
- Chiral Reagents
- Heterocycles
- Metabolites & Impurities
- Mutagenesis Research Chemicals
- Nicotine Derivatives
