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Homocarnosine

Homocarnosine structure

CAS No:
3650-73-5
Formula:
C10H16N4O3
Chemical Name:
Homocarnosine
Synonyms:
L-Histidine,N-(4-amino-1-oxobutyl)-;Histidine,N-(4-aminobutyryl)-,L-;Histidine,N-(4-aminobutyryl)-;N-(4-Amino-1-oxobutyl)-L-histidine;γ-Aminobutyryl-L-histidine;Homocarnosine;γ-Aminobutyrylhistidine;L-Homocarnosine;NSC 92522;(2S)-2-(4-Aminobutanamido)-3-(1H-imidazol-4-yl)propanoic acid;(S)-2-(4-Aminobutanamido)-3-(1H-imidazol-4-yl)propanoic acid;13131-95-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A homocarnosine that has S configuration.

Homocarnosine is a histidine derivative that is histidine in which one of the hydrogens attached to the alpha-amino group has been replaced by a 4-aminobutanoyl group. It has a role as a metabolite. It is a histidine derivative, a N-acyl-amino acid and a member of imidazoles. It derives from a gamma-aminobutyric acid.

Homocarnosine Basic Attributes

Molecular Weight：

240.25900

Exact Mass：

240.26

NSC Number：

92522

HScode：

2933290090

Characteristics

PSA：

121.10000

XLogP3：

0.35170

Appearance：

Solid

Density：

1.327±0.06 g/cm3(Predicted)

Boiling Point：

646.9ºC at 760mmHg

Flash Point：

345.1ºC

Refractive Index：

1.579

Storage Conditions：

2-8ºC

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

gamma-aminobutyryl-L-histidine

Computed Properties

Molecular Weight:240.26
XLogP3:-3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:240.12224039
Monoisotopic Mass:240.12224039
Topological Polar Surface Area:121
Heavy Atom Count:17
Complexity:272
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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