Topotecan Hydrochloride

HYDROCHLORIDE · 3-[1-methyl-6-(4-piperidyl)indazol-3-yl]piperidine-2,6-dione · Hycamtin · TOPOTECAN HCL · 3-amino-1,3-dimethyl-cyclobutanol · 2-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-ethylamine · (1R)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline · 108563

https://huagongshe.com/de/chemical/60699

Molekülstruktur von Topotecan Hydrochloride

Identifikatoren & physikalische Daten

CAS No.	119413-54-6
Summenformel	C23H24ClN3O5
Durchschnittliche Molmasse	457,9 g/mol
Monoisotopische Masse	457,1404486 g/mol
SMILES	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl
InChIKey	DGHHQBMTXTWTJV-BQAIUKQQSA-N
PubChem CID	60699
ChEMBL	CHEMBL1607
ChEBI	CHEBI:232548
EC No.	601-607-9
DTXSID	DTXSID1045952

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	103
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	3
Schwere Atome	32
Formalladung	0
Komplexität	867
Collision Cross Section	211.2 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt	213-218°C
Lagerbedingungen	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\|
CAS Datenbank	119413-54-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH300 (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 exposureRespiratory 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.
Hazard Classes and Categories	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%)

GHS-Einstufung

DangerH300 (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 exposureRespiratory 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.

Hazard Classes and Categories

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%)

Anwendungen & Verwendung

Verwenden

A DNA topoisomerase I inhibitor; semisynthetic analog of Camptothecin. Antineoplastic. Topotecan hydrochloride is a chemotherapy agent that is a topoisomerase 1 inhibitor.