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68261-19-8

68261-19-8 Structure

68261-19-8 Structure
IdentificationBack Directory
[Name]

L-ASPARTIC ACID (3-13C)
[CAS]

68261-19-8
[Synonyms]

L-ASPARTIC ACID (3-13C)
[Molecular Formula]

C4H7NO4
[MDL Number]

MFCD00083891
[MOL File]

68261-19-8.mol
[Molecular Weight]

134.11
Chemical PropertiesBack Directory
[Melting point ]

>300 °C (dec.)(lit.)
[density ]

1.515±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[Optical Rotation]

[α]25/D +25.0°, c =2 in 5 M HCl
[InChI]

1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1+1
[InChIKey]

CKLJMWTZIZZHCS-IJGDANSWSA-N
[SMILES]

N[C@@H]([13CH2]C(O)=O)C(O)=O
[CAS Number Unlabeled]

56-84-8
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

WGK 2
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

L-Aspartic acid-13C-1 is the deuterium labeled L-Aspartic acid[1]. L-Aspartic acid is is an amino acid, shown to be a suitable proagent for colon-specific agent deliverly[2][3].
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110
[2] Hosoya K, et al. Blood-brain barrier produces significant efflux of L-aspartic acid but not D-aspartic acid: in vivo evidence using the brain efflux index method. J Neurochem. 1999 Sep;73(3):1206-11. DOI:10.1046/j.1471-4159.1999.0731206.x
[3] Leopold CS, et al. In vivo pharmacokinetic study for the assessment of poly(L-aspartic acid) as a drug carrier for colon-specific drug delivery. J Pharmacokinet Biopharm. 1995 Aug23(4):397-406. DOI:10.1007/BF02353640
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