Amoscanate

HCID 33488CAS 26328-53-0

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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(Nc2ccc(N=C=S)cc2)cc1
InChIKey
DKVNAGXPRSYHLB-UHFFFAOYSA-N
Molecular formula
C13H9N3O2S
Average molar mass
271.301 g/mol
Monoisotopic mass
271.04154753

Names & identifiers

Preferred name
Amoscanate
IUPAC
4-Isothiocyanato-N-(4-nitrophenyl)aniline
English name
Amoscanate
Molecular formula
C13H9N3O2S
Molecular weight
271.29

Names & synonyms

GO 9333CGP-4540C-9333 GOCCRIS 4111CIBA-9333 GONithiocyamineamoscanate USP/EP/BPN-(4-isothiocyanatophenyl)-4-nitroaniline4-Nitro-4'-iso-thiocyanate diphenyl amine4-Isothiocyanato-N-(4-nitrophenyl)-aniline

Database identifiers

CAS
26328-53-0
PubChem CID
33488
DTXSID
DTXSID90180946
ChEMBL
CHEMBL93385
ChEBI
CHEBI:38944
UNII
X0MK46CVRB
Nikkaji
J20.593A

Properties

Physicochemical properties

Melting point
196 · 196-198°
Boiling point
469.7 · 469.7±30.0 °C(Predicted)
Density
1.3474 · 1.3474 (rough estimate)
refractive index
1.674 · 1.6740 (estimate)
pka
-3.5 · -3.50±0.40(Predicted)
form
Solid

Safety & regulation

Safety data

Toxicity
dnr-esc 1 g/L MUREAV 164,9,86

Chemistry & industry

Applications · 1 item

UsesAmoscanate (cgp4540) is phenyl isothiocyanate in which the hydrogen at the para-position has been replaced by a 4-nitroanilinyl group. Amoscanate is an anti-schistosomal agent. Amoscanate, as an isothiocyanate compound and uncoupler of oxidative phosphorylation, potently injures rodent ependyma[1].

Upstream & downstream products

Suppliers18 total

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Amoscanate is an isothiocyanate that is phenyl isothiocyanate in which the hydrogen at the para- position has been replaced by a 4-nitroanilinyl group. It has a role as a schistosomicide drug. It is a C-nitro compound, an isothiocyanate and a secondary amino compound. It is functionally related to a diphenylamine.

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