alpha-Peltatin
Grundinformationen
- CAS
568-53-6- Standard-SMILES
COc1cc([C@@H]2c3cc4c(c(O)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O- InChIKey
JGGWNGRBXJWAOC-HKJPBSJPSA-N- Summenformel
- C21H20O8
- Durchschnittliche Molmasse
- 400,4 g/mol
- Monoisotopische Masse
- 400,11581759
Überblick
Alpha-peltatin is an organic heterotetracyclic compound that is 4'-demethylpodophyllotoxin which is substituted by a hydroxy group at position 10 but which is lacking the hydroxy group at position 9. It is found as a glucoside in the rhizomes of Podophyllum peltatum. It has a role as a metabolite and an antineoplastic agent. It is a lignan, a member of phenols, a gamma-lactone, an organic heterotetracyclic compound and a furonaphthodioxole.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Peltatin
- IUPAC
- (5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
- Englischer Name
- alpha-peltatin
- Summenformel
- C21H20O8
- Molmasse
- 400.381
Namen und Synonyme
alpha-Peltatin568-53-6alpha-Peltatin ANCI 1074NSC 24817EHO76Y1JAONCI-1074NSC-24817NSC-35463CHEBI:10324DTXSID30205349RefChem:555904
Weitere Namen anzeigen
α-Peltatina-Peltatinalpha-Peltatin (Standard)(5R)-5,8,8aβ,9-Tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aαH)-one(5R,5aα)-5,8,8aβ,9-Tetrahydro-10-hydroxy-5β-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one(5R,5aR,8aR)-10-Hydroxy-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5,8,8a,9-tetrahydro-5aH-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-oneFuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR)-
DTXCID80127840(5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro(5,6-f)(1,3)benzodioxol-8-onePELTATIN, ALPHA.alpha.-PeltatinNSC24817PELTATIN AUNII-EHO76Y1JAOPeltatin-A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 104 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 614
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
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
Danger
H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationChemical: Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-,[5R-(5.alpha.,5a.beta.,8a.alpha.)]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemie und Industrie
Anwendungen
Verwendenα-Peltatin is one of the major lignans in Podophyllum peltatum, and is one of the components of Podophyllin, a complex mixture of oils and pigments that was used as a purgative. α-Peltatin also has biological activity against tumours.
Anbieter9 Anbieter
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北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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