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Fenretinide glucuronide

CAT: 0013-GTR19258603-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258603-01Size:25 mg
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Description
Fenretinide glucuronide is a metabolite formed through the glucuronidation of Fenretinide. This process enhances the water solubility of Fenretinide and facilitates its excretion. Fenretinide glucuronide shows potential for research in the field of cancer.
CAS Number
79982-82-4
Field of Research
Metabolism Research
Smiles
O ([C@@H]1O[C@H] (C (O) =O) [C@@H] (O) [C@H] (O) [C@H]1O) C2=CC=C (NC (/C=C (/C=C/C=C (/C=C/C=3C (C) (C) CCCC3C) \C) \C) =O) C=C2
Molecular Formula
C32H41NO8
Molecular Weight
567.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-((4-Hydroxyphenyl)retinamide)-O-glucuronide
CAS Number79982-82-4
PubChem CID56841152
IUPAC Name(2S,3S,6S)-6-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC32H41NO8
Molecular Weight567.7
XLogP5.3
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity1090
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O[C@H]3C(C([C@@H]([C@H](O3)C(=O)O)O)O)O)/C)/C
InChI
InChI=1S/C32H41NO8/c1-19(11-16-24-21(3)10-7-17-32(24,4)5)8-6-9-20(2)18-25(34)33-22-12-14-23(15-13-22)40-31-28(37)26(35)27(36)29(41-31)30(38)39/h6,8-9,11-16,18,26-29,31,35-37H,7,10,17H2,1-5H3,(H,33,34)(H,38,39)/b9-6+,16-11+,19-8+,20-18+/t26?,27-,28?,29-,31+/m0/s1
InChIKey
UVITUJIIRZWOPU-JNRLUXRTSA-N
Chemical Structure
2D Structure
2D structure of N-((4-Hydroxyphenyl)retinamide)-O-glucuronide
CAS: 79982-82-4
CID: 56841152
Formula: C32H41NO8
MW: 567.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.7
XLogP35.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass567.28321727
Monoisotopic Mass567.28321727
Topological Polar Surface Area146 Ų
Heavy Atom Count41
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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