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138148-62-6

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138148-62-6 Structure

138148-62-6 Structure
IdentificationBack Directory
[Name]

(S)-2-(N-Methyl-3-(Methyldisulfanyl)propanaMido)propanoic acid
[CAS]

138148-62-6
[Synonyms]

N-Methyl-N-[3-(Methyldithio)-1-oxopropyl]-L-Alanine
N-methyl-N-(3-(methyldisulfanyl)propanoyl)-L-alanine
L-Alanine, N-methyl-N-[3-(methyldithio)-1-oxopropyl]-
(S)-2-(N-Methyl-3-(Methyldisulfanyl)propanaMido)propanoic acid
[Molecular Formula]

C8H15NO3S2
[MDL Number]

MFCD27944427
[MOL File]

138148-62-6.mol
[Molecular Weight]

237.34
Chemical PropertiesBack Directory
[Melting point ]

103-104 °C
[Boiling point ]

406.3±30.0 °C(Predicted)
[density ]

1.263±0.06 g/cm3(Predicted)
[pka]

3.60±0.10(Predicted)
[InChI]

InChI=1S/C8H15NO3S2/c1-6(8(11)12)9(2)7(10)4-5-14-13-3/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
[InChIKey]

OPKAUPROPWPLTQ-LURJTMIESA-N
[SMILES]

C(O)(=O)[C@H](C)N(C)C(=O)CCSSC
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Hazard InformationBack Directory
[Uses]

N-Methyl-N-[3-(methyldithio)-1-oxopropyl]-L-alanine can be synthesized as DM-1 of novel anticancer drug Kadcyla.
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