ChemicalBook--->CAS DataBase List--->3978-11-8

3978-11-8

3978-11-8 Structure

3978-11-8 Structure
IdentificationBack Directory
[Name]

N'-formyl-L-Kynurenine
[CAS]

3978-11-8
[Synonyms]

¥759,287.00
Formyl-L-Kynurenine
Tryptophan EP Impurity E
N-Acetyltryptophan EP Impurity E
Tryptophan Impurity 8(Tryptophan EP Impurity E)
(2S)-2-amino-4-(2-formamidophenyl)-4-oxobutanoicaci
(S)-2-Amino-4-(2-formamidophenyl)-4-oxobutanoic acid
Benzenebutanoic acid, α-amino-2-(formylamino)-γ-oxo-, (αS)-
Benzenebutanoic acid, a-aMino-2-(forMylaMino)-g-oxo-, (aS)-
[Molecular Formula]

C11H12N2O4
[MDL Number]

MFCD23135611
[MOL File]

3978-11-8.mol
[Molecular Weight]

236.22
Chemical PropertiesBack Directory
[Melting point ]

162 °C (decomp)
[Boiling point ]

563.4±50.0 °C(Predicted)
[density ]

1.394±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

2.17±0.23(Predicted)
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/s3
[InChIKey]

BYHJHXPTQMMKCA-SBYBRXNCNA-N
[SMILES]

C(O)(=O)[C@@H](N)CC(C1=CC=CC=C1NC=O)=O |&1:3,r|
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Formylkynurenine is the impurity of Tryptophan (T947210), which is an essential amino acid.
[Definition]

ChEBI: N-formyl-L-kynurenine is a N-formylkynurenine, a non-proteinogenic L-alpha-amino acid and a non-proteinogenic amino acid derivative. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is functionally related to a L-kynurenine. It is a tautomer of a N-formyl-L-kynurenine zwitterion.
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