Anisodamine

HCID 6918612
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Grundinformationen

CAS
55869-99-3
Standard-SMILES
CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2
InChIKey
WTQYWNWRJNXDEG-RBZJEDDUSA-N
Summenformel
C17H23NO4
Durchschnittliche Molmasse
305,4 g/mol
Monoisotopische Masse
305,16270822

Überblick

Anisodamine has been investigated for the treatment of Intestinal Diseases.

Namen und Bezeichner

Bevorzugter Name
Anisodamine
IUPAC
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Englischer Name
Anisodamine
Summenformel
C17H23NO4
Molmasse
305.37

Namen und Synonyme

anisodamine55869-99-3Hyoscyamine, 6-hydroxy-01343Q8EL8[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoateDTXSID301025872(1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL (2S)-3-HYDROXY-2-PHENYLPROPANOATEalpha-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl esterBenzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-DTXSID00425118((1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) (2S)-3-hydroxy-2-phenylpropanoate(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
Weitere Namen anzeigen
6-hydroxyhyoscyamineaceanisodaMine(-)-AnisodamineAtropine impurity E6-hydroxy-hyoscyaminApoatropine Impurity E6-β-HydroxyhyoscyamineScopolamine Impurity 66-beta-hydroxyhyoscyamineHyoscyamine EP Impurity C
RefChem:915889(-)-6beta-hydroxyhyoscyamineDTXCID50375952DTXCID601510125637-239-0Anisodamine, (+/-)-Raceanisodamine [WHO-DD]U5AC4ZPQ36

Datenbank-Bezeichner

CAS
55869-99-3、85760-60-7
PubChem CID
6918612
DTXSID
DTXSID301025872
ChEMBL
CHEMBL2165224
UNII
01343Q8EL8、U5AC4ZPQ36
EC Number
637-239-0、695-410-5
Nikkaji
J33.369G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
70 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
5
Schwere Atome
22

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section172.34 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
62 · 62-63 °C
Siedepunkt
474.6 · 474.6±45.0 °C(Predicted)
Dichte
1.27 · 1.27
storage temp.
room temp
Löslichkeit
2 O: · H2O: ≥5mg/mL
pka
14.12 · 14.12±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (100%)

Acute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 6 Einträge

Drugs that selectively bind to and activate alpha adrenergic receptors.

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.

Drugs used to cause dilation of the blood vessels.

Anwendungen

Verwenden6S-Hydroxyhyoscyamine is a derivative of Hyoscyamine (H674300), a natural compound that has inhibitory activity against cholinesterases.

Anbieter67 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

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CAS 55869-99-3 Anisodamine (HCID 6918612)｜Huagongshe