Basic information
- CAS
110501-66-1- Standard SMILES
CCOC(=O)Oc1ccc(/C=C/C=C/C(=O)NCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1OC- InChIKey
LUOUCHOLMUUZBO-SVSXJNCISA-N- Molecular formula
- C35H40N2O6
- Average molar mass
- 584.7 g/mol
- Monoisotopic mass
- 584.288637
Overview
Linetastine is a small molecule drug. The usage of the INN stem '-astine' in the name indicates that Linetastine is a antihistaminic. Linetastine has a monoisotopic molecular weight of 584.29 Da.
Names & identifiers
- Preferred name
- Linetastine
- IUPAC
- [4-[(1E,3E)-5-[2-(4-benzhydryloxypiperidin-1-yl)ethylamino]-5-oxopenta-1,3-dienyl]-2-methoxyphenyl] ethyl carbonate
- English name
- TMK 688
- Molecular formula
- C35H40N2O6
- Molecular weight
- 584.7
Names & synonyms
Linetastine159776-68-8Linetastina7U248Z56LAlinetastinumRefChem:1088480LinazolastTmk688Linetastine [INN]Tmk 688110501-66-1TMK-688
Show more names
(2E,4E)-N-[2-[4-(Diphenylmethoxy)-1-piperidinyl]ethyl]-5-[3-methoxy-4-[(ethoxycarbonyl)oxy]phenyl]-2,4-pentadienamideCarbonic acid, 4-[5-[[2-[4-(diphenylmethoxy)-1-piperidinyl]ethyl]amino]-5-oxo-1,3-pentadien-1-yl]-2-methoxyphenyl ethyl esterCarbonic acid 4-[(1E,3E)-5-[[2-[4-(diphenylmethoxy)-1-piperidinyl]ethyl]amino]-5-oxo-1,3-pentadienyl]-2-methoxyphenylethyl ester
[4-[(1E,3E)-5-[2-(4-benzhydryloxypiperidin-1-yl)ethylamino]-5-oxopenta-1,3-dienyl]-2-methoxyphenyl] ethyl carbonateCCRIS 6902Linazolast (JAN)LINAZOLAST [JAN]Carbonic acid, 4-(5-((2-(4-(diphenylmethoxy)-1-piperidinyl)ethyl)amino)-5-oxo-1,3-pentadienyl)-2-methoxyphenyl ethyl ester(2E,4E)-N-(2-(4-(Diphenylmethoxy)piperidino)ethyl)-5-(4-hydroxy-3-methoxyphenyl)-2,4-pentadienamide ethyl carbonate (ester)1-((5'-(3''-methoxy-4''-ethoxycarbonyloxyphenyl)-2',4'-pentadienoyl)aminoethyl)-4-diphenylmethoxypiperidineUNII-7U248Z56LA
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 856
Physicochemical properties
- Boiling point
- 760.9 · 760.9±60.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 15.11 · 15.11±0.46(Predicted)
Chemistry & industry
Suppliers6 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…