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Tesmilifene fumarate

CAT: 0127-BUP10512-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10512-01Size:5 mg
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CAS Number
1185241-83-1
Synonyms
DPPE fumarate
Purity
=98%
Smiles
OC(=O)\C=C\C(O)=O.CCN(CC)CCOc1ccc(Cc2ccccc2)cc1

Chemical Information

Dppe fumarate
CAS Number1185241-83-1
PubChem CID45073473
IUPAC Name2-(4-benzylphenoxy)-N,N-diethylethanamine;(E)-but-2-enedioic acid
Molecular FormulaC23H29NO5
Molecular Weight399.5
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity369
SMILES
CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C19H25NO.C4H4O4/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17;5-3(6)1-2-4(7)8/h5-13H,3-4,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
ZOOMDYHTGZSGDD-WLHGVMLRSA-N
Chemical Structure
2D Structure
2D structure of Dppe fumarate
CAS: 1185241-83-1
CID: 45073473
Formula: C23H29NO5
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass399.20457303
Monoisotopic Mass399.20457303
Topological Polar Surface Area87.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M23352-01Tesmilifene fumarate
HY-101179-01Tesmilifene (fumarate)
HY-101179RTesmilifene (fumarate) (Standard)
HY-13762Tesmilifene
202890Tesmilifene HCl
HY-13762STesmilifene-d4
T204127-01Tesmilifene hydrochloride
HY-13762ATesmilifene (hydrochloride)
GTR19154298-01Tesmilifene HCl (DPPE)
MA-0233Fumarate

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