β-Pilocarpin

(+)-Isopilocarpine

HCID 91468CAS 531-35-1
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Grundinformationen

Standard-SMILES
CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C
InChIKey
QCHFTSOMWOSFHM-WCBMZHEXSA-N
Summenformel
C11H16N2O2
Durchschnittliche Molmasse
208,26 g/mol
Monoisotopische Masse
208,12117775

Überblick

(+)-isopilocarpine is an isopilocarpine. It is an enantiomer of a (-)-isopilocarpine.

Namen und Bezeichner

Bevorzugter Name
(+)-Isopilocarpine
IUPAC
(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Lokaler Name
β-Pilocarpin
Englischer Name
beta-pilocarpine
Summenformel
C11H16N2O2
Molmasse
208.26

Namen und Synonyme

(+)-Isopilocarpineisopilocarpine3-Isopilocarpine531-35-1J9UV7D2OI9CHEBI:39458DTXSID701316166(3R,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one(3R,4R)-3-ETHYL-4-((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)DIHYDROFURAN-2(3H)-ONERefChem:905468CHEBI:39459DTXCID901746030
Weitere Namen anzeigen
β-PilocarpinePilocarpine imp APilocarpine impurity AIsopilocarpine Impurity-APilocarpine Impurity 1 MonomerSpinosad Impurity 1(Spinosyn A)
208-506-5beta-Pilocarpine(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-oneCHEMBL91776UNII-J9UV7D2OI9EINECS 208-506-5Pilocarpine Hydrochloride EP Impurity ASpectrum_001285

Datenbank-Bezeichner

CAS
531-35-1
PubChem CID
91468
DTXSID
DTXSID701316166
ChEMBL
CHEMBL91776
ChEBI
CHEBI:39458
UNII
J9UV7D2OI9
EC Number
208-506-5
Nikkaji
J182.300K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
44,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
15

Physikochemische Eigenschaften

Siedepunkt
431.8 · 431.8±18.0 °C(Predicted)
Dichte
1.22 · 1.22±0.1 g/cm3(Predicted)
pka
7.02 · 7.02±0.10(Predicted)
InChI
InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10+/m0/s1
InChIKey
QCHFTSOMWOSFHM-WCBMZHEXSA-N
SMILES
O1C[C@H](CC2N(C)C=NC=2)[C@@H](CC)C1=O

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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.

Anwendungen

VerwendenAn isomeric degradation product of Pilocarpine (P441500) with significantly lower binding affinity to muscarinic cholinergic receptors (～0.1 that of Pilocarpine).

Anbieter15 Anbieter

天津始加生物医药科技有限公司15022261580 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]

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