(-)-Physostigmine salicylate
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Grundinformationen
- CAS
57-64-7- Standard-SMILES
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O- InChIKey
HZOTZTANVBDFOF-PBCQUBLHSA-N- Summenformel
- C15H21N3O2.C7H6O3
- Durchschnittliche Molmasse
- 413,5 g/mol
- Monoisotopische Masse
- 413,19507096
Überblick
Crystal form that turns red on exposure to heat or light. (EPA, 1998)
Namen und Bezeichner
- Bevorzugter Name
- (-)-Physostigmine salicylate
- IUPAC
- [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;2-hydroxybenzoic acid
Namen und Synonyme
Physostigmine salicylate57-64-7Isopto EserinePhysostigmine monosalicylateNSC-7572752046ZRO9VUPhysostigmini salicylas(-)-Physostigmine salicylateCHEBI:48883DTXSID80883232Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-, mono(2-hydroxybenzoate)ANTICHOLIUM
Weitere Namen anzeigen
RefChem:56715DTXCID501022781200-343-8Eserine salicylatePhysostigmine (salicylate)MLS000028388SMR000058606(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate 2-hydroxybenzoate
Datenbank-Bezeichner
- CAS
57-64-7- PubChem CID
- 657348
- DTXSID
DTXSID80883232- ChEMBL
CHEMBL338975- ChEBI
CHEBI:48883- UNII
- 2046ZRO9VU
- EC Number
- 200-343-8
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 102 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 535
Experimentelle und physikochemische Eigenschaften
Melting Point365 to 369 °F (EPA, 1998)
Vapor Pressure0.00001 [mm Hg] @25 °C
Physical DescriptionCrystal form that turns red on exposure to heat or light. (EPA, 1998)
Collision Cross Section167.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6.5% (3 of 46) of reports.
Danger
H300 (93.5%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Benzoic acid, 2-hydroxy-, compd. with (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo2,3-bindol-5-yl methylcarbamate (1:1): Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - Benzoic acid, 2-hydroxy-, compound with (3aS-cis)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1): Human health tier I assessment
DOT LabelPoison
Fire HazardsWhen heated to decomposition, it emits toxic fumes of nitrogen oxides. (EPA, 1998)
Health HazardsThis compound is similar to physostigmine. It is classified as super toxic. The probable oral lethal dose (humans) is less than 5 mg/kg or a taste for a 150 lb. person. It is a cholinesterase inhibitor. (EPA, 1998)
Reactive Group
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzoic acid, 2-hydroxy-, compd. with (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl N-methylcarbamate (1:1): ACTIVE
Zugehörige Reaktionen
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