Basic information
- CAS
33032-12-1- Standard SMILES
CN(C)CCN(Cc1cccs1)c1ccccn1.CN(C)CCN(Cc1cccs1)c1ccccn1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
OLGIEIJNOQGBSS-VQYXCCSOSA-N- Molecular formula
- C40H50N6O12S2
- Average molar mass
- 871 g/mol
- Monoisotopic mass
- 870.2928134
Names & identifiers
- Preferred name
- Methapyrilene fumarate
- IUPAC
- tris((E)-but-2-enedioic acid);bis(N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine)
- English name
- Methapyrilene fumarate
- Molecular formula
- C18H23N3O4S
- Molecular weight
- 377.46
Names & synonyms
Methapyrilene fumarateThenylpyramine fumarateDTXSID0047404KJ5I25TXYL1,2-Ethanediamine, N,N-dimethyl-N'-2-pyridinyl-N'-(2-thienylmethyl)-, (E)-2-butenedioate (2:3)2-((2-(Dimethylamino)ethyl)-2-thenylamino)pyridine fumarate (2:3)Metapyrilene fumarateUNII-KJ5I25TXYL2-[[2-(Dimethylamino)ethyl]-2-thenylamino]pyridine fumarate (2:3)CCRIS 9035EINECS 251-351-3Methapyrilene fumarate [USP]
Show more names
metapyrilenefumarateMethapyrilene Fumarate (200 mg)Methapyrilene Fumarate (1402004)2-((2-(dimethylamino)ethyl)-2-thenylamino)-pyridinfumarate(2:3)
CHEMBL3187246DTXCID8027404OLGIEIJNOQGBSS-VQYXCCSOSA-NMETHAPYRILENE FUMARATE [MI]Tox21_303631Pyridine, 2-((2-(dimethylamino)ethyl)-2-thenylamino)-, fumarate (1:1)Pyridine, 2-((2-(dimethylamino)ethyl)-2-thenylamino)-, fumarate (2:3)METHAPYRILENE FUMARATE [WHO-DD]
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 319 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 18
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 135 · 135-136°
- FDA 21 CFR
- 310.545 · 310.545
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 I25TXYL · KJ5I25TXYL
Chemistry & industry
Applications
UsesMethapyrilene Fumarate is used as an antihistaminic agent.
Suppliers9 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
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Compound notes
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