Basic information
- CAS
3105-97-3- Standard SMILES
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12- InChIKey
MFZWMTSUNYWVBU-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2S
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.15584919
Overview
Hycanthone is an odorless canary yellow to yellow-orange crystalline powder. Bitter taste. (NTP, 1992)
Names & identifiers
- Preferred name
- Hycanthone
- IUPAC
- 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
- English name
- Hycanthone
- Molecular formula
- C20H24N2O2S
- Molecular weight
- 356.48
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
3105-97-3- PubChem CID
- 3634
- DTXSID
DTXSID9023128- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.7
Solubility
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
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]
Physicochemical properties
- Melting point
- 100.6 · 100.6-102.8°
- Boiling point
- 570.5 · 570.5±50.0 °C(Predicted)
- Density
- 1.1269 · 1.1269 (rough estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards
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%)
Safety & protection
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that act systemically to kill adult schistosomes.
Applications
UsesAntischistosomal.
UsesHycanthone is the active metabolite of the anthelmintic prodrug Lucanthone (L473700), which is used in the treatment of schistosomiasis.
General DescriptionOdorless canary yellow to yellow-orange crystalline powder. Bitter taste.
Suppliers25 total
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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