Basic information
- CAS
50-19-1- Standard SMILES
CCC(O)(COC(N)=O)c1ccccc1- InChIKey
WAFIYOULDIWAKR-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Overview
Oxyfenamate is an alkylbenzene.
Names & identifiers
- Preferred name
- Hydroxyphenamate
- IUPAC
- (2-hydroxy-2-phenylbutyl) carbamate
- English name
- oxyfenamate
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.243
Names & synonyms
OxyfenamateHydroxyphenamate50-19-1Listica2-Hydroxy-2-phenylbutyl carbamateAL-0361OxyfenamatumOxifenamatoNSC-1080342-Phenyl-1,2-butanediol 1-carbamate1,2-BUTANEDIOL, 2-PHENYL-, 1-CARBAMATEP-301
Show more names
Oxifenamate(2-hydroxy-2-phenylbutyl) carbamate(2-hydroxy-2-phenyl-butyl) carbamate
NSC108034MD0414799XCarbamic acid, beta-ethyl-beta-hydroxyphenethyl esterDTXSID40861571RefChem:147243DTXCID80810487200-017-5Oxyphenamate
Database identifiers
- CAS
50-19-1- PubChem CID
- 5752
- DTXSID
DTXSID40861571- ChEMBL
CHEMBL2107215- ChEBI
CHEBI:134877- UNII
- MD0414799X
- EC Number
- 200-017-5
- Nikkaji
- J4.098C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
Physicochemical properties
- Melting point
- 55 · 55-56.5°
- Boiling point
- 348.6 °C · 348.6°C (rough estimate)
- Density
- 1.1547 · 1.1547 (rough estimate)
- refractive index
- 1.508 · 1.5080 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 414799 X · MD0414799X
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
- Toxicity
- 50 orally · LD50 orally in mice: 830 mg/kg (Bastian, Clements)
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Toxicity
- LD50 orally in mice: 830 mg/kg (Bastian, Clements)
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
UsesTranquilizer (minor).
Upstream & downstream products
Upstream raw materials
Suppliers8 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Additional notes
ChEBI: Oxyfenamate is an alkylbenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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