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Belzutifan O-Glucuronide

CAT: 1596-AR-B06158-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B06158-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2370102-07-9
Synonyms
(2S,3S,4S,5R,6S) -6- (((1S,2S,3R) -4- (3-cyano-5-fluorophenoxy) -2,3-difluoro-7- (methylsulfonyl) -2,3-dihydro-1H-inden-1-yl) oxy) -3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Molecular Formula
C23H20F3NO10S
Molecular Weight
559.47
API Name
Belzutifan

Chemical Information

Belzutifan metabolite M16
CAS Number2370102-07-9
PubChem CID172866694
IUPAC Name(2S,3S,4S,5R,6S)-6-[[(1S,2S,3R)-4-(3-cyano-5-fluorophenoxy)-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC23H20F3NO10S
Molecular Weight559.5
XLogP0.7
Topological Polar Surface Area192
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1040
SMILES
CS(=O)(=O)C1=C2[C@@H]([C@@H]([C@@H](C2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C23H20F3NO10S/c1-38(33,34)12-3-2-11(35-10-5-8(7-27)4-9(24)6-10)13-14(12)20(16(26)15(13)25)36-23-19(30)17(28)18(29)21(37-23)22(31)32/h2-6,15-21,23,28-30H,1H3,(H,31,32)/t15-,16-,17+,18+,19-,20+,21+,23-/m1/s1
InChIKey
VKJUABJEUKXTOH-VCMREBBDSA-N
Chemical Structure
2D Structure
2D structure of Belzutifan metabolite M16
CAS: 2370102-07-9
CID: 172866694
Formula: C23H20F3NO10S
MW: 559.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.5
XLogP30.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass559.07600149
Monoisotopic Mass559.07600149
Topological Polar Surface Area192 Ų
Heavy Atom Count38
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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