ChemicalBook--->CAS DataBase List--->13045-94-8

13045-94-8

13045-94-8 Structure

13045-94-8 Structure
IdentificationBack Directory
[Name]

NSC 35051
[CAS]

13045-94-8
[Synonyms]

CB 3026
Medfalan
Medphlan
Medphalan
NSC 35051
3026 C.B.
3026 C. B.
D-Melphalan
DL-Melphalan
Melphalan D-lsomer
Melphalan D-isomer
Melphalan HCl (L-PAM)
Melphalan Impurity 12
D-Phenylalanine mustard
Melphalan Impurity 12(Melphalan D-isomer)
(p-Di(2-chloroethyl)amino-D-phenyl)alanine
4-(Bis(2-chloroethyl)amino)-D-phenylalanine
D-Phenylalanine, 4-[bis(2-chloroethyl)amino]-
D-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine
(+)-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine
D-Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, D-
D-Phenylalanine, 4-[bis(2-chloroethyl)amino]- (9CI)
Alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-, D- (8CI)
(R)-2-Amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoic acid
(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
[Molecular Formula]

C13H18Cl2N2O2
[MDL Number]

MFCD01674289
[MOL File]

13045-94-8.mol
[Molecular Weight]

305.2
Chemical PropertiesBack Directory
[Melting point ]

181.75°C (rough estimate)
[density ]

1.3587 (rough estimate)
[refractive index ]

1.6070 (estimate)
[storage temp. ]

2-8°C
[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
[SMILES]

C(O)(=O)[C@@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N
[IARC]

3 (Vol. 9, Sup 7) 1987
Safety DataBack Directory
[Signal word ]

Warning
[Hazard statements ]

H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362
[Toxicity]

LD50 intracrebral in rat: 113ug/kg
Hazard InformationBack Directory
[Uses]

D-Melphalan-d8 is the isotope labelled isomer of melphalan (M216900), which is an antineoplastic.
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