Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E07WRC)
DIG Name
Propylene glycol monostearate
Synonyms    Click to Show/Hide the Synonyms of This DIG
PROPYLENE GLYCOL MONOSTEARATE; 2-Hydroxypropyl stearate; 142-75-6; 2-hydroxypropyl octadecanoate; 1323-39-3; Monosteol; Prostearin; Octadecanoic acid, 2-hydroxypropyl ester; Pegosperse PS; Monosteol TG; Cerasynt PA; Cerasynt PN; Dragil-P; Tegin P; Propylene glycol 1-monostearate; Propylene glycol 1-stearate; NOCA; Crill 26; Nonex 32; Octadecanoic acid, monoester with 1,2-propanediol; Emerest 2381; Noca (VAN); Propyleneglycol stearate; Emcol PS-50 RHP; Atlas G 924; 1,2-Propanediol monostearate; Propylene glycol octadecanoate; Propylene glycol, monostearate; Propylene glycol monooctadecanoate; 1,2-Propanediol monooctadecanoate; 1,2-Propylene glycol monostearate; Propylene glycol stearic acid ester; Stearic acid, monoester with propane-1,2-diol; Stearic acid, monoester with 1,2-propanediol; NCGC00159505-02; UNII-32I3MRN561; Octadecanoic acid,2-hydroxypropyl ester; FEMA No. 2942; C21H42O3; NSC 4841; EINECS 205-557-5; EINECS 215-354-3; MFCD00021902; 32I3MRN561; AI3-00975; DSSTox_CID_7381; DSSTox_RID_78430; DSSTox_GSID_27381; SCHEMBL35521; CHEMBL1551666; FEMA 2942; DTXSID30872292; 1,2-Propylene glycol 1-stearate; Propylene glycol monostearate [NF]; 1, 2-Propylene glycol monostearate; Tox21_111724; 6629AF; LMFA07011008; AKOS015913883; MCULE-1266207415; NCGC00159505-03; CAS-1323-39-3; Q27256176
DIG Function
Emollient; Emulsifying agent; Surfactant
PubChem CID
14878
Formula
C21H42O3
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(C)O
InChI
1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3
InChIKey
FKOKUHFZNIUSLW-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=14878"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 342.6 Topological Polar Surface Area 46.5
XlogP 8.3 Complexity 266
Heavy Atom Count 24 Rotatable Bond Count 19
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Doxycycline
 API Info
Periodontal disease [ICD-11: DA0C]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Primary active transporter (PAT)
            DBT Name: Multidrug resistance protein 1 (ABCB1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Inhibition ratio = 25 % (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_HUMAN
References
1 FDA label for approved doxycycline from the official website of the U.S. Food and Drug Administration.
2 Modulation of intestinal P-glycoprotein function by polyethylene glycols and their derivatives by in vitro transport and in situ absorption studies. Int J Pharm. 2006 Apr 26;313(1-2):49-56.

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