Topotecan Hydrochloride
Grundinformationen
- CAS
119413-54-6- Standard-SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl- InChIKey
DGHHQBMTXTWTJV-BQAIUKQQSA-N- Summenformel
- C23H24ClN3O5
- Durchschnittliche Molmasse
- 457,9 g/mol
- Monoisotopische Masse
- 457,1404486
Überblick
Topotecan hydrochloride is a pyranoindolizinoquinoline. It has a role as an antineoplastic agent and an EC 5.99.1.2 (DNA topoisomerase) inhibitor. It contains a topotecan.
Namen und Bezeichner
- Bevorzugter Name
- Topotecan Hydrochloride
- IUPAC
- (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;hydrochloride
- Englischer Name
- Topotecan hydrochloride
- Summenformel
- C23H24ClN3O5
- Molmasse
- 457.91
Namen und Synonyme
TOPOTECAN HYDROCHLORIDE119413-54-6Topotecan HclNogitecan hydrochlorideEvotopinTopotecan tevaTopotecan ActavisTopotecan HospirapotactasolSK&F S-104864-ATopotecan (as hydrochloride)Hydrochloride, Nogitecan
Weitere Namen anzeigen
HYDROCHLORIDE3-[1-methyl-6-(4-piperidyl)indazol-3-yl]piperidine-2,6-dioneHycamtin3-amino-1,3-dimethyl-cyclobutanol2-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-ethylamine(1R)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline108563NSC 609669SKF-104864A
NSC-759263DTXSID1045952SK&F-S-104864-A956S425ZCYDTXCID9025952SK-S-104864-AHydrochloride, TopotecanRefChem:57198
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 103 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 867
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Antineoplastic Agents; Topoisomerase I Inhibitors
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Collision Cross Section211.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 213 · 213-218°C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- Aggregatzustand
- Light yellow to greenish powder.
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- InChIKey
- DGHHQBMTXTWTJV-UUTVKYGWNA-N
- SMILES
- C12C=C3N(CC4C=C5C(CN(C)C)=C(O)C=CC5=NC3=4)C(=O)C=1COC(=O)[C@]2(O)CC.Cl |&1:27,r|
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
H300 (37.5%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, 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 8 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 2 (37.5%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Topotecan hydrochloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Sicherheitsdaten
- hs_code
- 29420000
- risk_code
- 25-36/37/38-46
- hazard_code
- T
- safety_code
- 26-36/37/39-45
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
TOPOTECAN HYDROCHLORIDE
Topoisomerase Inhibitor [EPC]; Topoisomerase Inhibitors [MoA]
MeSH Pharmacological ClassificationCompounds that inhibit the activity of DNA TOPOISOMERASE I.
Anwendungen
VerwendenA DNA topoisomerase I inhibitor; semisynthetic analog of Camptothecin. Antineoplastic. Topotecan hydrochloride is a chemotherapy agent that is a topoisomerase 1 inhibitor.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
5
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