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D-Melphalan-d8

CAT: 0926-NAA04594-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-NAA04594-02Size:5 mg
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CAS Number
13045-94-8
MDL Number
MFCD01674289
Smiles
C1=CC (=CC=C1C[C@H] (C (=O) O) N) N (CCCl) CCCl
Molecular Formula
C13H10D8Cl2N2O2
Molecular Weight
313.25 g/mol
Controlled
No

Chemical Information

D-Melphalan
CAS Number13045-94-8
PubChem CID20189
IUPAC Name(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20
XLogP-0.5
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity265
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)N)N(CCCl)CCCl
InChI
InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m1/s1
InChIKey
SGDBTWWWUNNDEQ-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of D-Melphalan
CAS: 13045-94-8
CID: 20189
Formula: C13H18Cl2N2O2
MW: 305.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.20
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass304.0745332
Monoisotopic Mass304.0745332
Topological Polar Surface Area66.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity265
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
445602-01D-Melphalan-d8
CS-EO-02956Melphalan D8
CS-O-06754Melphalan-d8 Hydrochloride
TRC-M216903-10MGMelphalan-d8 Monohydrochloride
TRC-M216902-10MGMelphalan-d8 Dihydrochloride
AR-M01312-01Rac-Melphalan-d8
sc-488949Melphalan Dimer-d8 Dihydrochloride
sc-218689Melphalan-d8 N-Oxide
351967-01D-Melphalan
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