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Melphalan Impurity 34

CAT: 1299-RM-M051234-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M051234-02Size:25 mg
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CAS Number
1195416-50-2
Synonyms
Ethyl (S) -2- (1,3-dioxoisoindolin-2-yl) -3- (4- ((2-hydroxyethyl) amino) phenyl) propanoate
Molecular Formula
C21H22N2O5
Molecular Weight
382.42
Target Alternative Name
Melphalan
Product Name Synonym
Ethyl (S) -2- (1,3-dioxoisoindolin-2-yl) -3- (4- ((2-hydroxyethyl) amino) phenyl) propanoate

Chemical Information

ethyl (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(4-((2-hydroxyethyl)amino)phenyl)propanoate
CAS Number1195416-50-2
PubChem CID176483674
IUPAC Nameethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[4-(2-hydroxyethylamino)phenyl]propanoate
Molecular FormulaC21H22N2O5
Molecular Weight382.4
XLogP2.5
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity549
SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)NCCO)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C21H22N2O5/c1-2-28-21(27)18(13-14-7-9-15(10-8-14)22-11-12-24)23-19(25)16-5-3-4-6-17(16)20(23)26/h3-10,18,22,24H,2,11-13H2,1H3/t18-/m0/s1
InChIKey
SKRHRBOPNBEERN-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of ethyl (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(4-((2-hydroxyethyl)amino)phenyl)propanoate
CAS: 1195416-50-2
CID: 176483674
Formula: C21H22N2O5
MW: 382.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass382.15287181
Monoisotopic Mass382.15287181
Topological Polar Surface Area95.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-M01318-01Melphalan EP Impurity A (Dihydroxy Melphalan)
AR-M01333-01Melphalan Impurity 12
AR-M04168-01Melphalan Impurity 19
AR-M04169-01Melphalan Impurity 20
AR-M01309-01Melphalan Impurity 4
AR-M01329-01Melphalan Impurity 8
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AR-M01339-01Melphalan Impurity 17
AR-M01320-01Melphalan Impurity 5
AR-M01321-01Melphalan Impurity 6

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