Basic information
- CAS
3416-26-0- Standard SMILES
Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1- InChIKey
ZBIAKUMOEKILTF-UHFFFAOYSA-N- Molecular formula
- C30H35F2N3O
- Average molar mass
- 491.6 g/mol
- Monoisotopic mass
- 491.27481907
Overview
2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide is a diarylmethane.
Names & identifiers
- Preferred name
- Lidoflazine
- IUPAC
- 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
- English name
- LIDOFLAZINE, 98.5%
- Molecular formula
- C30H35F2N3O
- Molecular weight
- 491.62
Names & synonyms
LIDOFLAZINE3416-26-0LidoflazinumAngexLidoflazinaMCN-JR-7904R 7904J4ZHN3HBTEDTXSID60453774-(4,4-Bis(p-fluorophenyl)butyl)-1-piperazineaceto-2',6'-xylidide1-Piperazineacetamide, 4-(4,4-bis(4-fluorophenyl)butyl)-N-(2,6-dimethylphenyl)-R-7904
Show more names
kliniummcn-jr7904lidoflazinLIDOFLAZINE, 98.5%
DTXCID40253771-Piperazineacetamide, 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2,6-dimethylphenyl)-RefChem:389096C08EX01222-312-8OrdiflazineCorflazineClinium
Database identifiers
- CAS
3416-26-0- PubChem CID
- 3926
- DTXSID
DTXSID6045377- ChEMBL
CHEMBL92870- ChEBI
CHEBI:93095- UNII
- J4ZHN3HBTE
- EC Number
- 222-312-8
- Nikkaji
- J7.732A
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 623
Experimental & physicochemical properties
DrugsPharmaceuticals -> Cardiovascular system -> Calcium channel blockers
LogP5.92
Physicochemical properties
- Melting point
- 159 · 159-161°
- Boiling point
- 632.6 · 632.6±55.0 °C(Predicted)
- Density
- 1.1322 · 1.1322 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: ≥10mg/mL
- pka
- 14.62 · 14.62±0.70(Predicted)
- form
- powder
- color
- white
- InChIKey
- ZBIAKUMOEKILTF-UHFFFAOYSA-N
- SMILES
- Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2
- CAS DataBase Reference
- 3416 · 3416-26-0
- FDA UNII
- 4 ZHN3HBTE · J4ZHN3HBTE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- TK7910000
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Drugs used to cause dilation of the blood vessels.
Applications
UsesCoronary vasodilatator;Ca++ channel activator
UsesLidoflazine is a L-type Ca2+ channel antagonist.Also, it is derived from 1,1''-(4-Chlorobutylidene)bis(4-fluorobenzene) (C364775), which is a derivative of Zerumbone with potential anti-tumor effects towards HeLa cancer cells.
Upstream & downstream products
Upstream raw materials
Suppliers24 total
北京华美互利生物化工010-56205725 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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