Basic information
- CAS
71079-19-1- Standard SMILES
Cc1cc(NC(=NC2CCCCC2)Nc2nccs2)c2ccccc2n1- InChIKey
SQVNITZYWXMWOG-UHFFFAOYSA-N- Molecular formula
- C20H23N5S
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.16741693
Overview
Timegadine is a small molecule drug. Timegadine has a monoisotopic molecular weight of 365.17 Da.
Names & identifiers
- Preferred name
- Timegadine
- IUPAC
- 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
- English name
- Timegadine
- Molecular formula
- C20H23N5S
- Molecular weight
- 365.49
Names & synonyms
Timegadine71079-19-1TimegadinaTimegadinumSR-13681XR74J44UL1-Cyclohexyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidineDTXSID90221282N-Cyclohexyl-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolylguanidineRefChem:190029DTXCID90143773275-184-0
Show more names
N-Cyclohexyl-N''-(2-methylquinol-4-yl)-N'-2-thiazolylguanidineN-Cyclohexyl-N'-(2-methyl-4-quinolyl)-N''-(2-thiazolyl)guanidineGuanidine, N-cyclohexyl-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-
Timegadine [INN]2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidineSR13681-Cyclohexyl-3-(2-methylquinolin-4-yl)-2-(thiazol-2-yl)guanidineTimegadinum [INN-Latin]Timegadina [INN-Spanish]EINECS 275-184-0BRN 5619706
Database identifiers
- CAS
71079-19-1- PubChem CID
- 68902
- DTXSID
DTXSID90221282- ChEMBL
CHEMBL276368
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 550.8 · 550.8±52.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 7.71 · 7.71±0.50(Predicted)
- FDA UNII
- 1 XR74J44UL · 1XR74J44UL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesTimegadine, is an antiinflammatory drug, that has shown to act as prostaglandin synthetase inhibitor which also inhibits cyclo-oxygenase (COX) and lipo-oxygenase.
Suppliers10 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
重庆卡兰医药有限公司[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…