Basic information
- CAS
55779-18-5- Standard SMILES
Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl- InChIKey
NAPNOSFRRMHNBJ-UHFFFAOYSA-N- Molecular formula
- C12H9ClFN5
- Average molar mass
- 277.68 g/mol
- Monoisotopic mass
- 277.0530512
Overview
Arprinocid is a member of 6-aminopurines.
Names & identifiers
- Preferred name
- Arprinocid
- IUPAC
- 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine
- English name
- Arprinocide
- Molecular formula
- C12H9ClFN5
- Molecular weight
- 277.68
Names & synonyms
Arprinocid55779-18-5ArpocoxArprinocidaArprinocidum9-(2-Chloro-6-fluorobenzyl)adenineDTXSID30577736A0XTA8ZUHMK-302DTXCID40315629-(2-Chloro-6-fluorophenylmethyl)-9H-purine-6-amineICI-123487
Show more names
ArpronocidAprinocid in acetonitrileArprinocide, 10 mM in DMSOArprinocide Solution, 100ppm6-Amino-9-(2-chloro-6-fluorobenzyl)purine
RefChem:5600359-(2-Chloro-6-fluorobenzyl)-9H-purin-6-amineArprinocideMFCD008672109-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine9-[(2-Chloro-6-fluorophenyl)methyl]-9H-purin-6-amineArpocox (TN)ARPRINOCID [MI]
Database identifiers
- CAS
55779-18-5- PubChem CID
- 41574
- DTXSID
DTXSID3057773- ChEMBL
CHEMBL321993- ChEBI
CHEBI:182830- UNII
- 6A0XTA8ZUH
- EC Number
- 259-817-8
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Physicochemical properties
- Melting point
- 245 · 245-246°
- Boiling point
- 504.6 · 504.6±60.0 °C(Predicted)
- Density
- 1.568 g/cm3 · 1.568 g/cm3
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.91 · 3.91±0.10(Predicted)
- color
- Pale Yellow to Pale Beige
- λmax
- 260 nm · 260nm(NaOH aq.)(lit.)
- CAS DataBase Reference
- 55779 · 55779-18-5(CAS DataBase Reference)
- FDA UNII
- 6 A0XTA8ZUH · 6A0XTA8ZUH
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 2933.59.3600
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological Classification
Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
Agents useful in the treatment or prevention of COCCIDIOSIS in man or animals.
Uses & manufacturing
Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Applications
UsesArprinocide can be used as a Coccidiostat used in veterinary medicine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers52 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司
Related reactions
1 records
Compound notes
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