Basic information
- CAS
31431-43-3- Standard SMILES
COC(=O)Nc1nc2ccc(C(=O)C3CC3)cc2[nH]1- InChIKey
OXLKOMYHDYVIDM-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Overview
Ciclobendazole is a member of benzimidazoles and a carbamate ester.
Names & identifiers
- Preferred name
- Cyclobendazole
- IUPAC
- methyl N-[6-(cyclopropanecarbonyl)-1H-benzimidazol-2-yl]carbamate
- English name
- ciclobendazole
- Molecular formula
- C13H13N3O3
- Molecular weight
- 259.26
Names & synonyms
CyclobendazoleCiclobendazole31431-43-3CiclobendazolCiclobendazolumDTXSID9057713R 17,147Methyl 5-(cyclopropylcarbonyl)-2-benzimidazolecarbamateNSC-335307JF3KQ40J31R-17147DTXCID0031502
Show more names
R 17CC-2481Nsc335307Aids084893Aids-084893Ciclobendazole Cyclobendazole
RefChem:126103methyl 5-cyclopropylcarbonyl-2-benzimidazolecarbamateP02CA04methyl N-(5-cyclopropanecarbonyl-1H-1,3-benzodiazol-2-yl)carbamate250-637-5Cyclobendazole [USAN]5-CyclopropylcarbonylcarbendazimeMLS003170852
Database identifiers
- CAS
31431-43-3- PubChem CID
- 35803
- DTXSID
DTXSID9057713- ChEMBL
CHEMBL1788401- ChEBI
CHEBI:135067- UNII
- JF3KQ40J31
- EC Number
- 250-637-5
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Melting point
- 250.5 ° · 250.5°
- Boiling point
- 402.52 °C · 402.52°C (rough estimate)
- Density
- 1.2211 · 1.2211 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- pka
- 10.8 · 10.80±0.10(Predicted)
- BRN
- 755755 · 755755
- FDA UNII
- 3 KQ40J31 · JF3KQ40J31
- ATC code
- 2 CA04 · P02CA04
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- WGK Germany
- 3 · 3
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- 3
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard statements
- H317
- Precautionary statements
- P280
Chemistry & industry
Pharmacology
ATC CodeP - Antiparasitic products, insecticides and repellents
Applications
UsesCyclobendazole is an anthelmintic.
Suppliers9 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Ciclobendazole is a member of benzimidazoles and a carbamate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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