General Information of DIG (ID: E0U7LV)
DIG Name
Rosin
Synonyms    Click to Show/Hide the Synonyms of This DIG
ROSIN; 85026-55-7; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol; beta-D-Glucopyranoside,(2E)-3-phenyl-2-propenyl; 69306-80-5; Colophony; beta-D-Glucopyranoside, 3-phenyl-2-propenyl, (E)-; CHEMBL4175856; Rosin, >=95% (HPLC); SCHEMBL15641934; SCHEMBL15641935; DTXSID60904535; HY-N0508; ZINC4096342; 3-Phenylallyl beta-D-glucopyranoside; MFCD23103373; AKOS016009311; Rosin soap (disproportionated) solution; 3-Phenyl-2-propenylbeta-D-glucopyranoside; 3-Phenyl-2-propenyl beta-D-glucopyranoside; CS-0009048; N2694; (E)-3-phenyl-2-propenyl beta-D-glucopyranoside; (2E)-3-Phenyl-2-propen-1-yl -D-glucopyranoside; 306P805; beta-D-Glucopyranoside, (2E)-3-phenyl-2-propenyl; Q-100859; Q15424776
DIG Function
Binding agent; Film/membrane-forming agent
PubChem CID
5280656
Formula
C15H20O6
Canonical SMILES
C1=CC=C(C=C1)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1
InChIKey
KHPCPRHQVVSZAH-GUNCLKARSA-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=5280656"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 296.31 Topological Polar Surface Area 99.4
XlogP -0.1 Complexity 328
Heavy Atom Count 21 Rotatable Bond Count 5
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 6
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Chlorpheniramine
API Info
Allergic rhinitis [ICD-11: CA08]
[1]
References
1 FDA label for approved chlorpheniramine from the official website of the U.S. Food and Drug Administration.

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