Details of the Drug

General Information of Drug (ID: DM0A1YI)

Drug Name

1na

Synonyms

3946-01-8; Methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside; N-((2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3-yl)acetamide; Alpha-Methyl-N-Acetyl-D-Glucosamine; Beta-Methyl-N-Acetyl-D-Glucosamine; Methyl 2-acetamido-2-deoxy-b-D-glucopyranoside; AC1L9IIR; SCHEMBL1673962; ZEVOCXOZYFLVKN-JGKVKWKGSA-N; MolPort-000-189-911; ZINC5234411; methyl n-acetyl-beta-d-glucosaminide; AKOS002687842; N-ACETYL-O-METHYL-D-GLUCOSAMINE; DB04426; N-acetyl-1-O-methyl-beta-d-glucosamine

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): 1

Molecular Weight (mw)

235.23

Logarithm of the Partition Coefficient (xlogp)

-2.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C9H17NO6
IUPAC Name: N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
Canonical SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O
InChI: InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1
InChIKey: ZEVOCXOZYFLVKN-JGKVKWKGSA-N