Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E07AGB)
DIG Name
Cetyl alcohol
Synonyms    Click to Show/Hide the Synonyms of This DIG
1-Hexadecanol; cetyl alcohol; Hexadecan-1-ol; 36653-82-4; HEXADECANOL; Cetanol; Palmityl alcohol; Hexadecyl alcohol; n-Cetyl alcohol; Cetaffine; Cetylol; Cetal; Ethal; Ethol; Cetylic alcohol; N-Hexadecanol; n-Hexadecyl alcohol; n-1-Hexadecanol; Loxanwachs SK; Crodacol C; Loxanol K extra; 1-Hexadecyl alcohol; Elfacos C; Loxanol K; Crodacol-CAS; Crodacol-CAT; Siponol wax-A; Atalco C; Cetalol CA; Siponol CC; Lanol C; 1-Cetanol; Hyfatol 16; Cachalot C-50; Cachalot C-51; Cachalot C-52; Alcohol C-16; Product 308; Aldol 54; Dytol F-11; Adol; Cyclal cetyl alcohol; Alfol 16; Lorol 24; Adol 52; Adol 54; Adol 52 NF; Hyfatol; Epal 16NF; 1-Hexadecyl alc; 16-Hexadecanol; C16 alcohol; Adol 520; n-Hexadecan-1-ol; Cetylalkohol; Isocetyl alcohol; 1-Hexanedecanol; Isohexadecyl alcohol; cetylalcohol; SSD RP; Normal primary hexadecyl alcohol; Alcohols, C14-18; CO-1670; CO-1695; Lipocol C; UNII-936JST6JCN; Fancol CA; Cetyl alcohol NF; Crodacol C70; Rita CA; 1-Hydroxyhexadecane; Cetanol (TN); Lanette 16; Philcohol 1600; Cetyl alcohol (NF); Cetyl alcohol [NF]; Lorol C16; LorolL 24; Cachalot C-50 NF; Adol 52NF; MFCD00004760; 936JST6JCN; CHEBI:16125; NSC4194; NCGC00159368-02; NCGC00159368-05; 1-Hexadecanol, 96%; palmitic alcohol; 1-Hexadecan-d33-ol; DSSTox_CID_7991; DSSTox_RID_78633; DSSTox_GSID_27991; Hexadecanol (VAN); Fatty alcohol(C16); Caswell No. 165D; FEMA Number 2554; Hexadecyl alcohol, normal; CAS-36653-82-4; FEMA No. 2554; HSDB 2643; NSC 4194; EINECS 253-149-0; EPA Pesticide Chemical Code 001508; Cetyl alcohol (hexadecanol); BRN 1748475; hexadecylalcohol; AI3-00755; Hexadecanol NF; Ceraphyl ICA; Crodacol C95NF; Dehydag wax 16; Eutanol G16; Crodacol C95 NF; Laurex 16; Alfol 16RD; hexadecan-1-ol group; SSD (Salt/Mix); Cetanol (JP17); Epal 16; Hyfatol 16-95; Kalcol 6098; Loxiol VPG 1743; 1-Hexadecanol, 95%; ACMC-1AJXA; SSD RP (Salt/Mix); CCCCCCCCCCCCCCCC[O]; bmse000487; CHEMBL706; Michel XO-150-16; EC 253-149-0; 1-Hexadecanol, >=99%; SCHEMBL3381; 124-29-8; 4-01-00-01876 (Beilstein Handbook Reference); ARONIS25150; DTXSID4027991; AMY6070; Cetyl alcohol, analytical standard; Cetyl alcohol, puriss., 95.0%; HMS3652H05; CS-D1348; HY-B1465; NSC-4194; ZINC8214519; EINECS 252-964-9; Tox21_111609; Tox21_300325; ANW-28459; LMFA05000061; s4173; SBB060167; STL283943; AKOS005287456; Tox21_111609_1; 1-Hexadecanol, ReagentPlus(R), 99%; CCG-266894; DB09494; MCULE-9457426256; NE10353; NCGC00159368-03; NCGC00159368-04; NCGC00159368-06; NCGC00254286-01; BS-16666; ST075158; Cetyl alcohol, puriss., >=99.0% (GC); FT-0701357; FT-0707360; N-HEXADECYL-16,16,16-D3 ALCOHOL; SW219201-1; Cetyl alcohol, SAJ special grade, >=98.0%; Cetyl alcohol, Selectophore(TM), >=99.0%; EN300-19351; 1-Hexadecanol, Vetec(TM) reagent grade, 94%; C00823; D00099; AB01566915_01; Q161632; SR-01000944409; SR-01000944409-1; 810F139F-C57E-4DF1-916A-A320AD0DAF4D; F0001-1047; N-HEXADECANOL (2,2,3,3...16,16,16-D31); UNII-13F4MW8Y9K component BXWNKGSJHAJOGX-UHFFFAOYSA-N; UNII-2DMT128M1S component BXWNKGSJHAJOGX-UHFFFAOYSA-N; UNII-B1K89384RJ component BXWNKGSJHAJOGX-UHFFFAOYSA-N; UNII-S4827SZE3L component BXWNKGSJHAJOGX-UHFFFAOYSA-N; UNII-U0T8J52I8B component BXWNKGSJHAJOGX-UHFFFAOYSA-N; Cetyl alcohol, European Pharmacopoeia (EP) Reference Standard; Cetyl alcohol, United States Pharmacopeia (USP) Reference Standard; Cetyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; 203633-15-2; 75736-52-6
DIG Function
Coating agent; Emollient; Emulsifying agent; Stiffening agent
PubChem CID
2682
Formula
C16H34O
Canonical SMILES
CCCCCCCCCCCCCCCCO
InChI
1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKey
BXWNKGSJHAJOGX-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=2682"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 242.44 Topological Polar Surface Area 20.2
XlogP 7.3 Complexity 123
Heavy Atom Count 17 Rotatable Bond Count 14
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Methylphenidate
 API Info
Attention deficit hyperactivity disorder [ICD-11: 6A05]
 [1]
       ICD Disease Classification 07 Sleep-wake disorder Click to Show/Hide
Dextroamphetamine
 API Info
Narcolepsy [ICD-11: 7A20]
 [2]
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Budesonide
 API Info
Allergic rhinitis [ICD-11: CA08]
 [3]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Omeprazole
 API Info
Gastro-oesophageal reflux disease [ICD-11: DA22]
 [4]
Lansoprazole
 API Info
Duodenal ulcer [ICD-11: DA63]
 [5]
Ursodeoxycholic acid
 API Info
Hepatic fibrosis/cirrhosis [ICD-11: DB93]
 [6]
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Diclofenac
 API Info
Knee osteoarthritis [ICD-11: FA01]
 [7]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Breast cancer FM3A cells (FM3A) 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 EC50 = 1600 nM (estimated based on the structural similarity with CHEMBL28459 ) [8]
                    Structural Similarity Tanimoto coefficient = 0.861111111
                    Tested Species Mus musculus (Mouse)
                    Cellosaurus ID CVCL_3869
References
1 FDA label for approved methylphenidate from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved dextroamphetamine from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved budesonide from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved omeprazole from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved lansoprazole from the official website of the U.S. Food and Drug Administration.
6 FDA label for approved ursodeoxycholic acid from the official website of the U.S. Food and Drug Administration.
7 FDA label for approved diclofenac from the official website of the U.S. Food and Drug Administration.
8 Synthesis and notable antimalarial activity of acyclic peroxides, L-(alkyldioxy)-L-(methyldioxy)cyclododecanes. J Med Chem. 2002 Mar 14; 45(6):1374-8.

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