CHEBI:38944 - amoscanate

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ChEBI Name amoscanate
ChEBI ID CHEBI:38944
Definition An isothiocyanate that is phenyl isothiocyanate in which the hydrogen at the para- position has been replaced by a 4-nitroanilinyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H9N3O2S
Net Charge 0
Average Mass 271.296
Monoisotopic Mass 271.042
InChI InChI=1S/C13H9N3O2S/c17-16(18)13-7-5-12(6-8-13)15-11-3-1-10(2-4-11)14-9-19/h1-8,15H
InChIKey DKVNAGXPRSYHLB-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1NC=2C=CC(N=C=S)=CC2)[N+](=O)[O-]
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): schistosomicide drug
Drugs that used to treat infestations by flukes (trematodes) of the genus Schistosoma.
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ChEBI Ontology
Outgoing amoscanate (CHEBI:38944) has functional parent diphenylamine (CHEBI:4640)
amoscanate (CHEBI:38944) has role schistosomicide drug (CHEBI:38941)
amoscanate (CHEBI:38944) is a C-nitro compound (CHEBI:35716)
amoscanate (CHEBI:38944) is a isothiocyanate (CHEBI:52221)
amoscanate (CHEBI:38944) is a secondary amino compound (CHEBI:50995)
IUPAC Name
4-isothiocyanato-N-(4-nitrophenyl)aniline
INNs Sources
amoscanate ChemIDplus
amoscanato ChemIDplus
amoscanatum ChemIDplus
Synonyms Sources
4-(4-Nitroanilino)phenylisothiocyanat ChemIDplus
4-isothiocyanato-4'-nitrodiphenylamine ChemIDplus
4-isothiocyanato-N-(4-nitrophenyl)benzenamine ChemIDplus
C 9333 GO ChemIDplus
CCRIS 4111 ChemIDplus
CGP 4540 ChemIDplus
Ciba 9333 GO ChemIDplus
GO 9333 ChemIDplus
isothiocyanic acid, p-(p-nitroanilino)phenyl ester ChemIDplus
nithiocyamine ChemIDplus
p-(p-nitroanilino)phenyl isothiocyanate ChemIDplus
Database Links Databases
189 DrugCentral
Amoscanate Wikipedia
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Registry Numbers Types Sources
26328-53-0 CAS Registry Number ChemIDplus
888705 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
13629 PubMed citation Europe PMC
21189316 PubMed citation Europe PMC
2721632 PubMed citation Europe PMC
3766854 PubMed citation Europe PMC
7014129 PubMed citation Europe PMC
7283017 PubMed citation Europe PMC
7324109 PubMed citation Europe PMC
817928 PubMed citation Europe PMC
889004 PubMed citation Europe PMC
901739 PubMed citation Europe PMC
Last Modified
13 March 2018