Basic information
- CAS
137159-92-3- Standard SMILES
CCc1cccc(N(C)C(N)=Nc2cccc3ccccc23)c1- InChIKey
BFNCJMURTMZBTE-UHFFFAOYSA-N- Molecular formula
- C20H21N3
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.17354768
Overview
Aptiganel is a member of naphthalenes.
Names & identifiers
- Preferred name
- Aptiganel
- IUPAC
- 1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
- English name
- Aptiganel hydrochloride
- Molecular formula
- C20H21N3
- Molecular weight
- 303.4
Names & synonyms
Aptiganel137159-92-346475LV84I1-(m-Ethylphenyl)-1-methyl-3-(1-naphthyl)guanidineDTXSID4048432Guanidine, N-(3-ethylphenyl)-N-methyl-N'-1-naphthalenylaptiganelumRefChem:113564DTXCID0028406Aptiganel [INN]1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine1-(3-ethylphenyl)-1-methyl-3-(naphthalen-1-yl)guanidine
Show more names
CNS-1102CERESTATAptiganel hydrochlorideN-(3-ETHYLPHENYL)-N-METHYL-N''-1-NAPHTHALENYLGUANIDINE HYDROCHLORIDEAptiganel hydrochloride, Cerestat, N-(3-Ethylphenyl)-N-methyl-N-1-naphthalenylguanidine hydrochloride
CHEMBL92484Lopac-C-4238UNII-46475LV84IAPTIGANEL [MI]APTIGANEL [MART.]APTIGANEL [WHO-DD]Lopac0_000312SCHEMBL151144
Database identifiers
- CAS
137159-92-3- PubChem CID
- 60840
- DTXSID
DTXSID4048432- ChEMBL
CHEMBL92484- ChEBI
CHEBI:135286- UNII
- 46475LV84I
- Nikkaji
- J574.577B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 455.1 · 455.1±38.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 17 mg/mL, soluble
- form
- solid
- pka
- 12.44 · 12.44±0.30(Predicted)
- color
- white
- Water Solubility
- 2 O: · H2O: 17mg/mL
- InChI
- 1S/C20H21N3/c1-3-15-8-6-11-17(14-15)23(2)20(21)22-19-13-7-10-16-9-4-5-12-18(16)19/h4-14H,3H2,1-2H3,(H2,21,22)
- InChIKey
- BFNCJMURTMZBTE-UHFFFAOYSA-N
- FDA UNII
- 46475 LV84I · 46475LV84I
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 336 · H336
- Precautionary statements
- 261 · P261-P271-P304+P340+P312-P403+P233-P405-P501
- target organs
- Central nervous system
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 3 · STOT SE 3
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 11 - Combustible Solids
- target organs
- Central nervous system
- Hazard statements
- H336
- Hazard Classifications
- STOT SE 3
- Precautionary statements
- P261-P271-P304+P340+P312-P403+P233-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Applications
UsesStroke and traumatic brain injury treatment (NMDA ion channel blocker).
Suppliers8 total
LGM Pharma1-(800)-881-8210 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Aptiganel is a member of naphthalenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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