Basic information
- CAS
6192-36-5- Standard SMILES
CCC(C(=O)NC(N)=O)c1ccccc1- InChIKey
AJOQSQHYDOFIOX-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Overview
Pheneturide is an amine.
Names & identifiers
- Preferred name
- Pheneturide
- IUPAC
- N-carbamoyl-2-phenylbutanamide
- English name
- 2-Phenylbutyrylurea
- Molecular formula
- C11H14N2O2
- Molecular weight
- 206.24
Names & synonyms
Pheneturide2-Phenylbutyrylurea90-49-3EthylphenacemideEthylphenylacetylureaBenurideLircapylPhenuridePhenylethylacetylureadl-PheneturideLaburideFeneturida
Show more names
PBUm551S 46M 551
1-((Ethyl)phenylacetyl)ureaPheneturidumUrea, (2-phenylbutyryl)-N-(alpha-Phenylbutyryl)ureaDTXSID4020612N-carbamoyl-2-phenyl-butanamide878CEJ4HGXM-551
Database identifiers
- CAS
6192-36-5、6509-32-6、90-49-3- PubChem CID
- 72060
- DTXSID
DTXSID4020612- ChEMBL
CHEMBL2107062- ChEBI
CHEBI:31989- UNII
- 878CEJ4HGX
- EC Number
- 201-998-2
- Nikkaji
- J4.320F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antiepileptics
Collision Cross Section151.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4020612]
Physicochemical properties
- Melting point
- 149.5 °C · 149.5°C
- Boiling point
- 345.1 °C · 345.1°C (rough estimate)
- Density
- 1.1427 · 1.1427 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- Refrigerator
- solubility
- Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly),
- form
- Solid
- pka
- 12.44 · 12.44±0.70(Predicted)
- color
- White to Off-White
- EWG's Food Scores
- 1 · 1
- FDA UNII
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 3249
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological ClassificationDrugs used to prevent SEIZURES or reduce their severity.
Applications
Uses2-Phenylbutyrylurea is used in the synthesis and discovery of novel trypanosomicidal drug-like compounds which is useful in the treatment of diseases. A degradation product of Phenobarbitol (P316760).
Suppliers29 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京恩德萨生物科技有限公司025-58862853 18915922038 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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