Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0C3HB)
DIG Name
Isopropyl palmitate
Synonyms    Click to Show/Hide the Synonyms of This DIG
ISOPROPYL PALMITATE; 142-91-6; Isopropyl hexadecanoate; Hexadecanoic acid, 1-methylethyl ester; Isopalm; Deltyl prime; Deltyl; Isopal; Propal; Tegester isopalm; Ja-fa ippkessco; Sinnoester PIT; Crodamol IPP; Plymouth IPP; Starfol IPP; Unimate IPP; Kessco IPP; Emcol-IP; Isopropyl n-hexadecanoate; Wickenol 111; Stepan D-70; Emerest 2316; Nikkol IPP; Estol 103; Usaf ke-5; 1-Methylethyl hexadecanoate; JA-FA Ipp; Palmitic acid, isopropyl ester; Kessco isopropyl palmitate; propan-2-yl hexadecanoate; Hexadecanoic acid, isopropyl ester; Tegosoft P; Liponate IPP; UNII-8CRQ2TH63M; Lexol IPP; MFCD00008993; NSC 69169; Palmitic Acid Isopropyl Ester; 2-propyl hexadecanoate; Isopropyl palmitate (NF); Isopropyl palmitate [NF]; 8CRQ2TH63M; CHEBI:84262; Hexadecanoic acid isopropyl ester; Isopropyl ester of hexadecanoic acid; NCGC00164128-01; WE(2:0(1Me)/16:0); DSSTox_CID_7104; DSSTox_RID_78312; DSSTox_GSID_27104; CAS-142-91-6; HSDB 2647; EINECS 205-571-1; BRN 1786567; AI3-05733; iso-propylpalmitate; isopropyl-palmitate; Palmitic acid esters; palmitic acid isopropyl; Radia 7200; ACMC-1BO4L; EC 205-571-1; 1-methylethyl hexandecanoate; SCHEMBL7743; Palmitic acid-isopropyl ester; 4-02-00-01167 (Beilstein Handbook Reference); Isopropyl palmitate, >=90%; CHEMBL139055; IPP 90; DTXSID9027104; WLN: 15VOY1 & 1; NSC69169; ZINC8214589; Tox21_112085; Tox21_202558; ANW-20732; LMFA07010675; NSC-69169; AKOS015902011; Tox21_112085_1; NCGC00164128-02; NCGC00260107-01; BS-15396; Hexadecanoic acidisopropyl n-hexadecanoate; R525; Isopropyl palmitate, technical grade, 90%; DB-042654; FT-0631830; P0005; 1-Methylethyl ester1-methylethyl hexandecanoate; D04632; SR-01000944752; J-007718; Q2631777; SR-01000944752-1; UNII-137MVX8C09 component XUGNVMKQXJXZCD-UHFFFAOYSA-N; Isopropyl hexadecanoate, European Pharmacopoeia (EP) Reference Standard; Isopropyl palmitate, United States Pharmacopeia (USP) Reference Standard; Isopropyl palmitate, Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function
Emollient; Oleaginous vehicle; Penetration agent; Solvent
PubChem CID
8907
Formula
C19H38O2
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC(C)C
InChI
1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
InChIKey
XUGNVMKQXJXZCD-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=8907"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 298.5 Topological Polar Surface Area 26.3
XlogP 8.2 Complexity 224
Heavy Atom Count 21 Rotatable Bond Count 16
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Hydrolase (HDase)
            DBT Name: Acylsphingosine deacylase NAAA (ASAHL) 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 = 19000 nM (estimated based on the structural similarity with CHEMBL139056 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.954545455
                    Tested Species Homo sapiens (Human)
                    UniProt ID NAAA_HUMAN
References
1 The endocannabinoid system: drug targets, lead compounds, and potential therapeutic applications. J Med Chem. 2005 Aug 11; 48(16):5059-87.

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