Basic information
- CAS
16604-45-8- Standard SMILES
CN(C)CC(Oc1ccccc1)Oc1ccccc1.O=C(O)/C=C/C(=O)O- InChIKey
CSQUJXBMSDQIKM-WLHGVMLRSA-N- Molecular formula
- C20H23NO6
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.15253745
Names & identifiers
- Preferred name
- Medifoxamine fumarate
- IUPAC
- (E)-but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine
- English name
- 2,2-diphenoxyethyl(dimethyl)ammonium fumarate (1:1)
- Molecular formula
- C20H23NO6
- Molecular weight
- 373.39972
Names & synonyms
CledialMEDIFOXAMINE FUMARATEGeraxyl16604-45-8OAG6T7TVU2LG 152N,N-Dimethyl-N-(2,2-diphenoxyethyl)amine fumarateAcetaldehyde, (dimethylamino)-, diphenyl acetal, fumarate (1:1)LG-152Ethanamine, N,N-dimethyl-2,2-diphenoxy-, (E)-2-butenedioate (1:1)RefChem:156233240-657-2
Show more names
UNII-OAG6T7TVU2EINECS 240-657-2(E)-but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine2,2-Diphenoxyethyl(dimethyl)ammonium fumarate (1:1)orb1701948SCHEMBL1649943(E)-but-2-enedioate;2,2-diphenoxyethyl(dimethyl)azaniumCSQUJXBMSDQIKM-WLHGVMLRSA-N
Database identifiers
- CAS
16604-45-8- PubChem CID
- 6450232
- DTXSID
DTXSID301376746- UNII
- OAG6T7TVU2
- EC Number
- 240-657-2
Properties
Computed structural properties
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 128.5 ° · 128.5°
- FDA UNII
- 6 T7TVU2 · OAG6T7TVU2
- Toxicity
- 50 orally · LD50 orally in rats: 750 mg/kg (Vagne)
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
- Toxicity
- LD50 orally in rats: 750 mg/kg (Vagne)
Chemistry & industry
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [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]
安庆研至医药科技有限公司18055651951 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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