Basic information
- CAS
132-35-4- Standard SMILES
CCC(c1ccccc1)c1noc(CCN(CC)CC)n1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
WFAULHLDTDDABL-UHFFFAOYSA-N- Molecular formula
- C23H33N3O8
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.22676502
Overview
Proxazole citrate is a carbonyl compound.
Names & identifiers
- Preferred name
- Proxazole Citrate
- IUPAC
- N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- English name
- 5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate
- Molecular formula
- C23H33N3O8
- Molecular weight
- 479.53
Names & synonyms
Proxazole citrate132-35-4PirecinSolacilTonessAerbronFlouPropaxolinPropaxolineProxazol citrateAF-634YR02IKM54O
Show more names
NSC303872NSC 3038725-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate
DTXSID5048760NSC-303872DTXCID8028686RefChem:930125205-059-8Propaxolin citratePropaxoline citrateProxazole citrate [USAN]
Database identifiers
- CAS
132-35-4- PubChem CID
- 8589
- DTXSID
DTXSID5048760- ChEMBL
CHEMBL2104858- ChEBI
CHEBI:32069- UNII
- YR02IKM54O
- EC Number
- 205-059-8
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- FDA UNII
- 2 IKM54O · YR02IKM54O
- Toxicity
- 50 in · LD50 in rats (mg/kg): 39 i.p., 60 orally (Silvestrini, Pozzatti)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 in rats (mg/kg): 39 i.p., 60 orally (Silvestrini, Pozzatti)
Chemistry & industry
Applications
UsesRelaxant (smooth muscle);analgesic; anti-inflammatory.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Proxazole citrate is a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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