Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E03GBZ)
DIG Name
Diisopropanolamine
Synonyms    Click to Show/Hide the Synonyms of This DIG
DIISOPROPANOLAMINE; 110-97-4; 1,1'-Iminodipropan-2-ol; Bis(2-hydroxypropyl)amine; 2-Propanol, 1,1'-iminobis-; Bis(2-propanol)amine; 1,1'-Iminodi-2-propanol; Di-2-propanolamine; DIPA (alcohol); Dipropyl-2,2'-dihydroxy-amine; N,N-Bis(2-hydroxypropyl)amine; 1,1'-Iminobis-2-propanol; 1-(2-hydroxypropylamino)propan-2-ol; 2-Propanol, 1,1'-iminodi-; 1-[(2-hydroxypropyl)amino]propan-2-ol; NSC 4963; UNII-0W44HYL8T5; 2-Propanol,1,1'-iminobis-; MFCD00004531; DI-ISOPROPANOL AMINE; 1,1'-Iminobis[2-propanol]; 0W44HYL8T5; Diisopropanolamine, 99%; DSSTox_CID_179; DSSTox_RID_75418; DSSTox_GSID_20179; CAS-110-97-4; CCRIS 6234; HSDB 338; EINECS 203-820-9; BRN 0605363; DIPA alcohol; diiso-propanolamine; diisopropanol amine; 44821-16-1; EINECS 268-900-8; Hydrogenated tallow di(hydroxypropyl)amine; di(2-hydroxypropyl)amine; 2-Propanol, 1,1'-iminobis-, N-(hydrogenated tallow alkyl) derivs.; 1,1-iminodi-2-propanol; 2-Propanol,1'-iminodi-; 2-Propanol,1'-iminobis-; bis-(2-hydroxypropyl)amine; EC 203-820-9; bis-(2-hydroxypropyl)-amine; SCHEMBL22774; 3-04-00-00761 (Beilstein Handbook Reference); 68153-96-8; 1,1'-azanediyldipropan-2-ol; Di(2-hydroxy-n-propyl) amine; 1,1'-Imino-di(2-propanol); CHEMBL2106303; DTXSID8020179; 1,1'-azanediylbis propan-2-ol; 1,1'-azanediyldi(propan-2-ol); NSC4963; CHEBI:143266; WLN: QY1 & 1M1YQ1; N,N-Di(2-hydroxypropyl)-N-(hydrogenated tallow alkyl)amine; ALBB-005923; AMY25531; NSC-4963; Tox21_201602; Tox21_302859; ANW-41638; BBL013266; SBB058768; STK503623; AKOS005457854; MCULE-2715190259; DIPA low freeze grade 85 (Salt/Mix); DIPA low freeze grade 90 (Salt/Mix); NCGC00249081-01; NCGC00256476-01; NCGC00259151-01; I853; VS-03726; Bis(2-hydroxypropyl)amine, >=98.0% (T); D0924; ST51037928; 54366-EP2289896A1; 54366-EP2308510A1; 54366-EP2308562A2; 54366-EP2371811A2; Q777543; J-660021; F0001-0230; 9AFD2C98-2177-4499-8EB2-1C8EA079F21D
DIG Function
Buffering agent; Emulsifying agent; Surfactant
PubChem CID
8086
Formula
C6H15NO2
Canonical SMILES
CC(CNCC(C)O)O
InChI
1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
InChIKey
LVTYICIALWPMFW-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=8086"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 133.19 Topological Polar Surface Area 52.5
XlogP -0.8 Complexity 60.1
Heavy Atom Count 9 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Leukemia L1210 cells (L1210) 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 IC50 = 600 nM (estimated based on the structural similarity with CHEMBL77102 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.860465116
                    Tested Species Mus musculus (Mouse)
                    Cellosaurus ID CVCL_0382
References
1 Synthesis and evaluation of hydroxylated polyamine analogues as antiproliferatives. J Med Chem. 2001 Jul 19; 44(15):2451-9.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.