Grundinformationen
- Standard-SMILES
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])O- InChIKey
PRZXEPJJHQYOGF-GNAZCLTHSA-N- Summenformel
- C11H17N3O5
- Durchschnittliche Molmasse
- 271,27 g/mol
- Monoisotopische Masse
- 271,11682064
Überblick
See also: Pilocarpine (has active moiety); Pilocarpine Hydrochloride (related).
Namen und Bezeichner
- Bevorzugter Name
- Pilocarpine Nitrate
- IUPAC
- (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;nitric acid
- Lokaler Name
- 3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)-methyl)-2(3H)-furanon-mononitrat, (3S-cis)-
- Englischer Name
- Pilocarpine nitrate
- Summenformel
- C11H17N3O5
- Molmasse
- 271.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
148-72-1- PubChem CID
- 657349
- DTXSID
DTXSID80883277- ChEMBL
CHEMBL1213136- UNII
- M20T465H6J
- EC Number
- 205-723-7
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 110 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 269
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 173 · 173,5-174°C
- Brechungsindex
- 81 ° · 81 ° (C=2, H2O)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 O: · H2O: 0.1 g/mL, clear, very faintly yellow
- Aggregatzustand
- powder
- Farbe
- white
- Wasserlöslichkeit
- 2 O: · H2O: 100mg/mL
- Merck
- 14 · 14,7424
- BRN
- 4171406 · 4171406
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1
- InChIKey
- PRZXEPJJHQYOGF-GNAZCLTHSA-N
- SMILES
- O[N+]([O-])=O.CC[C@H]1[C@H](COC1=O)Cc2cncn2C
- CAS Datenbank
- 148 · 148-72-1(CAS DataBase Reference)
- EPA chemische Informationen
- Pilocarpine nitrate (148-72-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300 (99.1%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3087
- hs_code
- 2939800000
- RTECS-Nr.
- TK1455000
- risk_code
- 22-26/28
- Toxizität
- LD50 oral in rat: 911mg/kg
- hazard_code
- Xn,T+
- safety_code
- 1-25-45
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 5.1B - Oxidizing hazardous materials
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 OralOx. Sol. 2
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents causing contraction of the pupil of the eye. Some sources use the term miotics only for the parasympathomimetics but any drug used to induce miosis is included here.
Drugs that bind to and activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC). Muscarinic agonists are most commonly used when it is desirable to increase smooth muscle tone, especially in the GI tract, urinary bladder and the eye. They may also be used to reduce heart rate.
Verwendung und Herstellung
Anwendungen
VerwendenPilocarpine nitrate salt has been used to measure bronchoconstriction and M2 and M3 muscarinic receptor function in vivo. It has also been used to induce electrographic and behavioral seizures and to study the different patterns of neuronal activation and neurodegeneration in Proechimys rats and Wistar rats.
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