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Hycanthone

HCID 3634
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
3105-97-3
표준 SMILES
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12
InChIKey
MFZWMTSUNYWVBU-UHFFFAOYSA-N
분자식
C20H24N2O2S
평균 분자량
356.5 g/mol
단동위원소 질량
356.15584919

개요

Hycanthone is an odorless canary yellow to yellow-orange crystalline powder. Bitter taste. (NTP, 1992)

이름 및 식별자

우선 이름
Hycanthone
IUPAC
1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
영어명
Hycanthone
분자식
C20H24N2O2S
분자량
356.48

이름 및 동의어

hycanthone3105-97-3HycanthonHicantonaLucanthone metabolite1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-oneHycanthonumWIN 24933DTXSID9023128NSC-134434WIN 24,9331-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one
이름 더 보기
ETRENOLWin 249-33Etrenol(mesylate)lucanthonemetaboliteHycanthone, 10 mM in DMSO1-(2-diethylaminoethylamino)-4-methylol-thioxanthen-9-one
2BXX5EVN2ANSC134434WIN-249331-{[2-(Diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-oneNSC 142982NSC-1429829H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-1-[(2-[DIETHYLAMINO]ETHYL)AMINO]-4-[HYDROXYMETHYL]-9H-THIOXANTHEN-9-ONE

데이터베이스 식별자

CAS
3105-97-3
PubChem CID
3634
DTXSID
DTXSID9023128
ChEMBL
CHEMBL22077
ChEBI
CHEBI:52768
UNII

물성

구조 계산 물성

XLogP
2.7
극성 표면적
77.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
7
무거운 원자 수
25
형식 전하
0
복잡도
443

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP2.7
Solubility · 2건

Highly soluble (NTP, 1992)

>53.5 [ug/mL] (The mean of the results at pH 7.4)

Melting Point213.1 to 217.0 °F (NTP, 1992)
Physical DescriptionHycanthone is an odorless canary yellow to yellow-orange crystalline powder. Bitter taste. (NTP, 1992)
Collision Cross Section · 2건

180.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

171.53 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
100.6 · 100.6-102.8°
끓는 점
570.5 · 570.5±50.0 °C(Predicted)
밀도
1.1269 · 1.1269 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
저장 조건
2 · Keep in dark place,Sealed in dry,2-8°C
용해도
30 mg/mL · DMSO : 30 mg/mL (84.16 mM)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1건

SYMPTOMS: Symptoms of exposure to this compound include nausea, vomiting, abdominal discomfort, headache, dizziness, myalgia, anorexia and, rarely, transient and minimal ECG changes, acute hepatic necrosis and death. Other symptoms include weakness, diarrhea and weight loss. Hepatotoxicity occurs. Exposure can cause acute toxic hepatitis, vertigo, fall in blood pressure, giddiness and liver damage (sometimes severe). There have been cases of psychotic disturbance, acute pancreatitis, icterus and cirrhosis.

Reactive GroupAlcohols and Polyols
Reactivity ProfileHYCANTHONE is very sensitive to acid. (NTP, 1992).
Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air and light. Highly soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

Fire Fighting

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationAgents that act systemically to kill adult schistosomes.

응용 분야

용도Hycanthone is the active metabolite of the anthelmintic prodrug Lucanthone (L473700), which is used in the treatment of schistosomiasis.

일반 설명Odorless canary yellow to yellow-orange crystalline powder. Bitter taste.

공급사25 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
2BXX5EVN2A
EC Number
221-463-7
Nikkaji
J2.172E
물리적 상태
Solid
산도 계수 (pKa)
3.4 · pKa 3.40 (Uncertain)
색상
Yellow to orange
EPA
Hycanthone (3105-97-3)
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

hycanthone

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

wgk
3
rtecs
XO1590000
risk_code
45-46-20/21/22
hazard_code
T
safety_code
53-36/37/39-45
18916372613 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
추가 설명 · 1건

정의ChEBI: A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.