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Adapalene-d3

CAT: 1596-AR-A01404-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01404-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1276433-89-6
Synonyms
6- (3- (adamantan-1-yl) -4-methoxyphenyl) -2-naphthoic acid-D3; [2H3]-Differin;6-[3- (1-Adamantyl) -4-Methoxyphenyl]-2-Naphthalene Carboxylic Acid-D3;6-[3- (1-Adamantyl) -4-Methoxyphenyl]-2-Naphthoic Acid-D3;6-[3- (1-Adamantyl) -4-Methoxy-Phenyl]Naphthalene-2-Carboxylic Acid-D3; Adapalene-D3; Adapalen-D3;6- (4-Methoxy-3-Tricyclo[3.3.1.13,7]Dec-1-Ylphenyl) -2-Naphthalenecarboxylic Acid-D3; Cd-271-D3; Differi-D3; Differin-D3;6-[4-Methoxy-3- (Adamantan-1-Yl) Phenyl]-2-Naphthalenecarboxylic Acid-D3
Molecular Formula
C28H25O3D3
Molecular Weight
415.55
API Name
Adapalene

Chemical Information

6-(3-(1-Adamantyl)-4-(trideuteriomethoxy)phenyl)naphthalene-2-carboxylic acid
CAS Number1276433-89-6
PubChem CID71313023
IUPAC Name6-[3-(1-adamantyl)-4-(trideuteriomethoxy)phenyl]naphthalene-2-carboxylic acid
Molecular FormulaC28H28O3
Molecular Weight415.5
XLogP7.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity644
SMILES
[2H]C([2H])([2H])OC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)/i1D3
InChIKey
LZCDAPDGXCYOEH-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 6-(3-(1-Adamantyl)-4-(trideuteriomethoxy)phenyl)naphthalene-2-carboxylic acid
CAS: 1276433-89-6
CID: 71313023
Formula: C28H28O3
MW: 415.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP37.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass415.22267499
Monoisotopic Mass415.22267499
Topological Polar Surface Area46.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity644
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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