Details of the Drug

General Information of Drug (ID: DMZ2BR9)

Drug Name

Beta-D-Glucopyranose Spirohydantoin

Synonyms

BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN; CHEMBL510975; GLS; (5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione; 1a8i; AC1L9FVJ; BDBM50263768; 1beta,1-(Iminocarbonyliminocarbonyl)-1-deoxy-D-glucopyranose; (5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione

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): 2

Molecular Weight (mw)

248.19

Logarithm of the Partition Coefficient (xlogp)

-3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C8H12N2O7
IUPAC Name: (5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O)O
InChI: InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8+/m1/s1
InChIKey: QRXBDPYWCAAAAI-WWHASAIZSA-N