Topotecan Hydrochloride

HCID 60699CAS 119413-54-6

기본 정보

표준 SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl
InChIKey
DGHHQBMTXTWTJV-BQAIUKQQSA-N
분자식
C23H24ClN3O5
평균 분자량
457.9 g/mol
단동위원소 질량
457.1404486

이름 및 식별자

우선 이름
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
영어명
Topotecan hydrochloride
분자식
C23H24ClN3O5
분자량
457.91

이름 및 동의어

TOPOTECAN HYDROCHLORIDE119413-54-6Topotecan HclNogitecan hydrochlorideEvotopinTopotecan tevaTopotecan ActavisTopotecan HospiraSK&F S-104864-ApotactasolNSC-759263DTXSID1045952
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적
103 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
3
무거운 원자 수
32

실험 및 물리화학적 성질

Collision Cross Section211.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
213 · 213-218°C
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태
연한 노란색에서 녹색을 띠는 분말.
색상
흰색에서 황백색까지
안정성
흡습성

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and Categories · 1건

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%)

독성 정보

Drug Induced Liver Injury · 6건

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 · 1건

◉ 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.

안전 데이터

HS 번호
29420000
risk_code
25-36/37/38-46
hazard_code
T
safety_code
26-36/37/39-45

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

TOPOTECAN HYDROCHLORIDE

Topoisomerase Inhibitor [EPC]; Topoisomerase Inhibitors [MoA]

MeSH Pharmacological ClassificationCompounds that inhibit the activity of DNA TOPOISOMERASE I.
응용 분야 · 2건

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

일반 설명Topotecan is supplied in 4-mg vials and administered IV forthe treatment of ovarian cancer, cervical cancer, and smallcell lung cancer in those patients who did not respond tofirst-line therapy. Following IV administration, the drug iswidely distributed with 10% to 35% of the agent bound toplasma proteins. There is evidence that the agent may crossthe blood-brain barrier to some extent. In plasma, an equilibriumis established between the lactone and the less activehydroxy acid with 20% of the drug present as the lactone 1hour after the infusion is complete. In contrast to irinotecan,both the lactone and the hydroxy acid bind equally well tohuman serum albumin. N-Demethylation of the tertiaryamine to give the secondary amine is mediated by CYP3A4and represents a minor route of metabolism. Glucuronidationof the parent and the phase I metabolites also occurs to a limited(10%) extent.Elimination occurs primarily in theurine, with 30% of the dose being recovered as unchangeddrug. The terminal elimination half-life is 2 to 3 hours. Themajor toxicity seen for topotecan is dose-limiting myelosuppression.Nausea and vomiting are seen in most (70%–80%)patients, along with diarrhea and abdominal pain. Other toxicitiesinclude headache myalgias, alopecia and elevation ofserum transaminases, alkaline phosphatases, and bilirubin.Microscopic hematuria (blood in the urine) may also be seen.

공급사50 곳

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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