Picropodophyllin
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Grundinformationen
- CAS
477-47-4- Standard-SMILES
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC- InChIKey
YJGVMLPVUAXIQN-HAEOHBJNSA-N- Summenformel
- C22H22O8
- Durchschnittliche Molmasse
- 414,4 g/mol
- Monoisotopische Masse
- 414,13146766
Namen und Bezeichner
- Bevorzugter Name
- Picropodophyllin
- IUPAC
- (5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Namen und Synonyme
PicropodophyllinPicropodophyllotoxin477-47-4AXL1717cyclolignan PPPpicro-podophyllinAXL-1717Picropodophyllin (PPP)0F35AOI227NSC36407NSC-36407Podophyllotoxin picropodophyllin
Weitere Namen anzeigen
(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-oneCHEBI:75251DTXSID80197245(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-(2)benzofuro(5,6-f)(1,3)benzodioxol-8-oneRefChem:174194DTXCID90119736Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-,(5R-(5-alpha,5a-alpha,8a-alpha,9-alpha))-17434-18-3
Datenbank-Bezeichner
- CAS
477-47-4- PubChem CID
- 72435
- DTXSID
DTXSID80197245- ChEMBL
CHEMBL283120- ChEBI
CHEBI:75251- UNII
- 0F35AOI227
- EC Number
- 637-166-4
- Nikkaji
- J112.698I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 92,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 629
Experimentelle und physikochemische Eigenschaften
Collision Cross Section
201.24 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；200.68 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；189.52 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；190.63 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
190.9 Ų [M+H-H2O]+ [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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Toxikologische Informationen
Exposure RoutesTopical application of 0.05 mL of 0.5% podofilox solution to external genitalia did not result in detectable serum levels. Applications of 0.1 to 1.5 mL resulted in peak serum levels of 1 to 17 ng/mL one to two hours after application.
Toxicity Summary
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Half Life: 1.0 to 4.5 hours.
Verwendung und Herstellung
UsesFor treatment of external genital warts (<i>Condyloma acuminatum</i>).
Anbieter20 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
成都普菲德生物技术有限公司028-82610909 13388174823 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
南京春秋生物工程有限公司17388075642 13815430202 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
Zugehörige Reaktionen
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Notizen zur Verbindung
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