Topotecan Hydrochloride

HCID 60699CAS 119413-54-6

Grundinformationen

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

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 HospiraSK&F S-104864-ApotactasolNSC-759263DTXSID1045952
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
SK&F-S-104864-ATopotecan (as hydrochloride)956S425ZCYHydrochloride, NogitecanDTXCID9025952SK-S-104864-AHydrochloride, TopotecanRefChem:57198

Datenbank-Bezeichner

CAS
119413-54-6
PubChem CID
60699
DTXSID
DTXSID1045952
ChEMBL
CHEMBL1607
ChEBI
CHEBI:232548
UNII
956S425ZCY
EC Number
601-607-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
103 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
3
Schwere Atome
32

Experimentelle und physikochemische Eigenschaften

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H300 (37.5%): Fatal if swallowed [Danger Acute toxicity, oral];H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H340 (87.5%): May cause genetic defects [Danger Germ cell mutagenicity];H350 (50%): May cause cancer [Danger Carcinogenicity];H351 (25%): Suspected of causing cancer [Warning Carcinogenicity];H360 (37.5%): May damage fertility or the unborn child [Danger Reproductive toxicity];H360D (12.5%): May damage the unborn child [Danger Reproductive toxicity];H361 (25%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H370 (25%): Causes damage to organs [Danger Specific target organ toxicity, single exposure];H412 (37.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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.;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 Categories · 1 Eintrag

Acute Tox. 2 (37.5%);Acute Tox. 3 (12.5%);Acute Tox. 4 (12.5%);Skin Irrit. 2 (12.5%);Eye Irrit. 2 (12.5%);STOT SE 3 (12.5%);Muta. 1B (87.5%);Carc. 1B (50%);Carc. 2 (25%);Repr. 1B (37.5%);Repr. 2 (25%);STOT SE 1 (25%);Aquatic Chronic 3 (37.5%)

Toxikologische Informationen

Drug Induced Liver Injury · 6 Einträge

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 · 1 Eintrag

◉ Summary of Use during Lactation;Most sources consider breastfeeding to be contraindicated during maternal high-dose antineoplastic drug therapy. The manufacturer recommends that women not breastfeed during treatment with topotecan and for 1 week after the last dose. Chemotherapy may adversely affect the normal microbiome and chemical makeup of breastmilk. Women who receive chemotherapy during pregnancy are more likely to have difficulty nursing their infant.;◉ Effects in Breastfed Infants;Relevant published information was not found as of the revision date.;◉ Effects on Lactation and Breastmilk;Relevant published information was not found as of the revision date.

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 · 2 Einträge

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.

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]

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