Details of the Drug

General Information of Drug (ID: DMF87Z5)

Drug Name

1-N-Acetyl-Beta-D-Glucosamine

Synonyms

1-N-ACETYL-BETA-D-GLUCOSAMINE; N-Acetyl-beta-D-glucopyranosylamine; CHEMBL335315; N-beta-D-Glucopyranosylacetamide; NBG; 6983-36-4; Acetamide, N-beta-D-glucopyranosyl-; 2prj; AC1L9HVU; SCHEMBL4388634; n-acetyl-b-d-glucopyranosylamine; BDBM50240802; DB02320; N-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetamide; N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

221.21

Logarithm of the Partition Coefficient (xlogp)

-1.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C8H15NO6
IUPAC Name: N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
Canonical SMILES: CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
InChIKey: IBONACLSSOLHFU-JAJWTYFOSA-N