Basic information
- CAS
1689-89-0- Standard SMILES
N#Cc1cc(I)c(O)c([N+](=O)[O-])c1- InChIKey
SGKGVABHDAQAJO-UHFFFAOYSA-N- Molecular formula
- C7H3IN2O3
- Average molar mass
- 290.01 g/mol
- Monoisotopic mass
- 289.91884
Overview
Nitroxinil is a small molecule drug. The usage of the INN stem '-nil' in the name indicates that Nitroxinil is a benzodiazepine receptor antagonist/agonist. Nitroxinil has a monoisotopic molecular weight of 289.92 Da.
Names & identifiers
- Preferred name
- Nitroxynil
- IUPAC
- 4-hydroxy-3-iodo-5-nitrobenzonitrile
- English name
- Nitroxinil
- Molecular formula
- C7H3IN2O3
- Molecular weight
- 290.01
Names & synonyms
NitroxynilNitroxinil1689-89-04-Hydroxy-3-iodo-5-nitrobenzonitrileNitroxiniloNitroxinilumDeldrax9L0EXQ7125DTXSID9075117RefChem:166160DTXCID4035413216-884-8
Show more names
trodaxNitroxiniNITROXINYLM and B 10755Nitroxynil BPNITROXYNIL(DOVENIX)Nitroxynil Standard
BENZONITRILE, 4-HYDROXY-3-IODO-5-NITRO-DovenixMFCD00070776Nitroxinil [INN]4-Hydroxy-3-iodo-5-nitro-benzonitrileNitroxinil (INN)C7H3IN2O34-cyano-2-iodo-6-nitrophenol
Database identifiers
- CAS
1689-89-0- PubChem CID
- 15532
- DTXSID
DTXSID9075117- ChEMBL
CHEMBL2104730- UNII
- 9L0EXQ7125
- EC Number
- 216-884-8
- Nikkaji
- J7.558B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
LogP2.7
Physicochemical properties
- Melting point
- 137 · 137-138°
- Boiling point
- 280.1 · 280.1±40.0 °C(Predicted)
- Density
- 2.1385 · 2.1385 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 3 · 3.00±0.38(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
- InChIKey
- SGKGVABHDAQAJO-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC([N+]([O-])=O)=C(O)C(I)=C1
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 97 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzonitrile, 4-hydroxy-3-iodo-5-nitro-
Nitroxynil: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- DI4600000
- ridadr
- UN2811 6.1/PG 3
- hs_code
- 29269090
- Toxicity
- mammal (species unspecified),LDLo,oral,125mg/kg (125mg/kg),Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 17, Pg. 108, 1973.
- risk_code
- 25-36/37/38-43
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
Chemistry & industry
Pharmacology
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationAgents used to treat cestode, trematode, or other flatworm infestations in man or animals.
Applications
Usescategorized under the category of Anthelmintic / Anti parasitic ( for veterinary use)
UsesNitroxinil is an anthelmintic used in the treatment of liver fluke. Nitroxinil is used for the treatment of fascioliasis in cattle and sheep.
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
Related reactions
5 records
Compound notes
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