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Androsterone glucuronide

CAT: 0931-T211027-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T211027-02Size:50 mg
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CAS Number
1852-43-3
Target
Endogenous Metabolite, Drug Metabolite
Related Pathways
Metabolism
Bioactivity
Androsterone glucuronide (ADT-G) is one of the primary metabolites of oral testosterone in the human body, detectable in urine. The levels of Androsterone glucuronide indicate the absorption and hepatic metabolism of testosterone.
Smiles
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC[C@]1(C[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)CC2)[H])[H])[H]
Molecular Formula
C25H38O8
Molecular Weight
466.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Androsterone Glucuronide

Androsterone 3-glucosiduronic acid is a steroid glucosiduronic acid having androsterone as the steroid component. It has a role as a metabolite, a mouse metabolite and a human metabolite. It is a beta-D-glucosiduronic acid and a steroid glucosiduronic acid. It is functionally related to an androsterone and a beta-D-glucuronic acid.

CAS Number1852-43-3
PubChem CID114833
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC25H38O8
Molecular Weight466.6
XLogP2.3
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity801
SMILES
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI
InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKey
VFUIRAVTUVCQTF-BSOWLZGZSA-N
Chemical Structure
2D Structure
2D structure of Androsterone Glucuronide
CAS: 1852-43-3
CID: 114833
Formula: C25H38O8
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass466.25666817
Monoisotopic Mass466.25666817
Topological Polar Surface Area134 Ų
Heavy Atom Count33
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count12
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
CS-I-00065Androsterone Glucuronide
CS-O-62578Androsterone-d4 Glucuronide
HY-W767389Androsterone glucuronide-d5
HY-151027S-01Androsterone glucuronide-d4
WAA08578-01Epi androsterone-beta-glucuronide
441564-01Androsterone β-D-Glucuronide discontinued
437556-015β-Androsterone β-D-Glucuronide
TRC-A637607-5MGAndrosterone-d5 β-D-Glucuronide
TRC-A637605-25MGAndrosterone b-D-Glucuronide
HY-113104S-01Androsterone glucuronide-d4 (sodium)

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