Hydroxycamptothecin
Grundinformationen
- CAS
1330277-66-1- Standard-SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1- InChIKey
HAWSQZCWOQZXHI-FQEVSTJZSA-N- Summenformel
- C20H16N2O5
- Durchschnittliche Molmasse
- 364,4 g/mol
Überblick
10-Hydroxycamptothecin is a pyranoindolizinoquinoline.
Namen und Bezeichner
- Bevorzugter Name
- Hydroxycamptothecin
- IUPAC
- (19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
- Englischer Name
- HAWSQZCWOQZXHI-CWDCNSFUSA-N
- Summenformel
- C20H16N2O5
- Molmasse
- 364.36
Namen und Synonyme
10-Hydroxycamptothecin19685-09-7(S)-10-HydroxycamptothecinHydroxycamptothecin10-hydroxycamptothecine10-HCPTNSC-1071249Z01632KRV(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo(11.8.0.02,11.04,9.015,20)henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dioneRefChem:77529613-598-9
Weitere Namen anzeigen
HAWSQZCWOQZXHI-CWDCNSFUSA-N[2H5]-10-Hydroxy Camptothecin
(S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione(4S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione10-Hydroxy camptothecinHydroxycamptothecineCamptothecin, hydroxy-Camptothecine, 10-hydroxy-10-Hydroxy-CamptothecinMFCD02093100
Datenbank-Bezeichner
- CAS
1330277-66-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 100 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 774
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LogP1.33
Collision Cross Section
187 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
201.21 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Löslichkeit
- DMSO ()Slightly, Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- Farbe
- Dark Green
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
Warning
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301+H311+H331 (20%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (97.4%)
Acute Tox. 3 (80%)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationAgents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
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