Details of the Drug

General Information of Drug (ID: DMABXOZ)

Drug Name
Hyaluronic acid
Synonyms
Hyaluronic Acid [BAN]; Hylan G-F 20; Hyvisc; Luronit; Mucoitin; Amo Vitrax; Amvisc; Biolon; Etamucine; Sepracoat; Sofast; Synvisc; C33H54N2O23; EINECS 232-678-0; HSDB 7240; Hyaluronate Sodium (hyaluronic acid)
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 846.8
Logarithm of the Partition Coefficient (xlogp) -6.8
Rotatable Bond Count (rotbonds) 16
Hydrogen Bond Donor Count (hbonddonor) 14
Hydrogen Bond Acceptor Count (hbondacc) 23
ADMET Property
Elimination
Studies in rats and dogs administered a radio-labeled oral dose of HA showed 87-96% excretion the feces [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 0.71 - 1.5 days [2]
Metabolism
The drug is metabolized via the hyaluronidases enzyme family [3]
Chemical Identifiers
Formula
C33H54N2O23
IUPAC Name
(3S,4R,6R)-3-[[(2R,4R,5S)-3-acetamido-4-[[(2R,4R,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-6-[[(2R,4R,5S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]methoxy]-4,5-dihydroxy-5-methyloxane-2-carboxylic acid
Canonical SMILES
CC(=O)NC1C(C(C(OC1COCC2C(OC(C(C2O)(C)O)OCC3C(C(OC(C3O)CO)O)NC(=O)C)C(=O)O)CO)O)COC4C(C(C(C(O4)C(=O)O)O)O)O
InChI
BVOZFCOTOYGLGD-VPQOAABJSA-N
InChIKey
1S/C33H54N2O23/c1-10(38)34-18-12(7-53-31-24(44)22(42)23(43)26(57-31)29(48)49)20(40)15(4-36)55-17(18)9-52-6-14-25(28(46)47)58-32(33(3,51)27(14)45)54-8-13-19(35-11(2)39)30(50)56-16(5-37)21(13)41/h12-27,30-32,36-37,40-45,50-51H,4-9H2,1-3H3,(H,34,38)(H,35,39)(H,46,47)(H,48,49)/t12-,13-,14+,15?,16?,17-,18?,19?,20-,21-,22+,23-,24?,25?,26?,27+,30+,31+,32+,33?/m0/s1
Cross-matching ID
PubChem CID
24847767
DrugBank ID
DB08818
INTEDE ID
DR2743
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Hyaluronoglucosaminidase (nagH)
Main DME 		DEV7UZD NAGH_CLOPE Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Gupta RC, Lall R, Srivastava A, Sinha A: Hyaluronic Acid: Molecular Mechanisms and Therapeutic Trajectory. Front Vet Sci. 2019 Jun 25;6:192. doi: 10.3389/fvets.2019.00192. eCollection 2019.
2 NIH StatPearls: Hyaluronic acid
3 O'Donnell S, O'Morain CA: Therapeutic benefits of budesonide in gastroenterology. Ther Adv Chronic Dis. 2010 Jul;1(4):177-86. doi: 10.1177/2040622310379293.
4 An extracellular enzyme with hyaluronidase and chondroitinase activities from some oral anaerobic spirochaetes. Microbiology. 1996 Sep;142 ( Pt 9):2567-76.