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Tazarotenic acid

CAT: 0931-T7894-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T7894-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
118292-41-4
Target
Others, Drug Metabolite
Related Pathways
Metabolism, Others
Purity
0.9864
Bioactivity
Tazarotenic acid (AGN-190299) is a retinoid prodrug which is converted to its active form
Smiles
CC1(C)CCSc2ccc(cc12)C#Cc1ccc(cn1)C(O)=O
Molecular Formula
C19H17NO2S
Molecular Weight
323.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tazarotenic acid

Tazarotenic acid is a thiochromane that is acetylene in which the hydrogens are replaced by 5-carboxypyridin-2-yl and 4,4-dimethylthiochroman-6-yl groups. It is the active form of the prodrug tazarotene. It has a role as a keratolytic drug and a teratogenic agent. It is a monocarboxylic acid, a member of pyridines, a retinoid and a thiochromane.

CAS Number118292-41-4
PubChem CID147525
IUPAC Name6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid
Molecular FormulaC19H17NO2S
Molecular Weight323.4
XLogP4.2
Topological Polar Surface Area75.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity518
SMILES
CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C
InChI
InChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKey
IQIBKLWBVJPOQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tazarotenic acid
CAS: 118292-41-4
CID: 147525
Formula: C19H17NO2S
MW: 323.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass323.09799996
Monoisotopic Mass323.09799996
Topological Polar Surface Area75.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity518
Isotope Atom Count0
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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Alternative Products

CatalogName
289939-01Tazarotenic acid
HY-101108RTazarotenic acid (Standard)
HY-101108S-01Tazarotenic acid-d6
T010085Tazarotenic Acid Sulfone
AR-T01227-01Tazarotenic Acid Sulfoxide
A14347-50Tazarotenic acid 50mg
sc-474530Tazarotenic Acid-d8
CS-EO-02584Tazarotenic acid 13C6

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