Basic information
- CAS
31848-01-8- Standard SMILES
COc1cc(C(=O)c2ccc(Cl)cc2)cc(OC)c1OCCN1CCOCC1- InChIKey
KVCJCEKJKGLBOK-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO5
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1343006
Overview
Morclofone is a member of benzophenones.
Names & identifiers
- Preferred name
- Morclofone
- IUPAC
- (4-chlorophenyl)-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanone
- English name
- morclofone
- Molecular formula
- C21H24ClNO5
- Molecular weight
- 405.87
Names & synonyms
Morclofone31848-01-8MorclofonaMorclofonumPlausitin4'-Chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)benzophenoneVY62TIB872DTXSID50185710morclophoneRefChem:159700DTXCID90108201R05DB25
Show more names
4'-chloro-3,5-dimethoxy-4-(2-morpholin-4-yl-ethoxy)-benzophenoneMethanone, (4-chlorophenyl)[3,5-dimethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-
4-(2-(4-(4-chlorobenzoyl)-2,6-dimethoxyphenoxy)ethyl)morpholine250-838-8Morclofone [INN]Dimeclophenone(4-chlorophenyl)-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanoneMorclofone (INN)K 3712; Medicil; Nitux; PlausitinMorclofonum [INN-Latin]
Database identifiers
- CAS
31848-01-8- PubChem CID
- 35949
- DTXSID
DTXSID50185710- ChEMBL
CHEMBL2105158- ChEBI
CHEBI:135657- UNII
- VY62TIB872
- EC Number
- 250-838-8
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 465
Experimental & physicochemical properties
DrugsPharmaceuticals -> Used in Switzerland
Physicochemical properties
- Melting point
- 91 · 91-92°
- Boiling point
- 563.1 · 563.1±50.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 6.28 · 6.28±0.10(Predicted)
- FDA UNII
- 62 TIB872 · VY62TIB872
- ATC code
- 5 DB25 · R05DB25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
- Toxicity
- 50 orally · LD50 orally in mice: 552 mg/kg (Lauria)
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 orally in mice: 552 mg/kg (Lauria)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H332-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Morclofone is a member of benzophenones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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