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Irbesartan N2-Glucuronide

CAT: 1299-RM-I192050-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I192050-01Size:10 mg
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CAS Number
160205-58-3
Synonyms
(2S,3S,4S,5R,6R) -6- (5- (4'- ((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl) methyl) -[1,1'-biphenyl]-2-yl) -2H-tetrazol-2-yl) -3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Molecular Formula
C31H36N6O7
Molecular Weight
604.66
Target Alternative Name
Irbesartan
Product Name Synonym
(2S,3S,4S,5R,6R) -6- (5- (4'- ((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl) methyl) -[1,1'-biphenyl]-2-yl) -2H-tetrazol-2-yl) -3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Chemical Information

Irbesartan N-|A-D-Glucuronide
CAS Number160205-58-3
PubChem CID75304437
IUPAC Name6-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]tetrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC31H36N6O7
Molecular Weight604.7
XLogP2.8
Topological Polar Surface Area183
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1060
SMILES
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C6C(C(C(C(O6)C(=O)O)O)O)O
InChI
InChI=1S/C31H36N6O7/c1-2-3-10-22-32-31(15-6-7-16-31)30(43)36(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)27-33-35-37(34-27)28-25(40)23(38)24(39)26(44-28)29(41)42/h4-5,8-9,11-14,23-26,28,38-40H,2-3,6-7,10,15-17H2,1H3,(H,41,42)
InChIKey
FVBDVTHTYLLSQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Irbesartan N-|A-D-Glucuronide
CAS: 160205-58-3
CID: 75304437
Formula: C31H36N6O7
MW: 604.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.7
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass604.26454751
Monoisotopic Mass604.26454751
Topological Polar Surface Area183 Ų
Heavy Atom Count44
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-I01685-01Irbesartan N2-Glucuronide
014953Irbesartan N-β-D-Glucuronide
TRC-I751010-5MGIrbesartan N-Beta-D-Glucuronide
MI09885-01Irbesartan N-b-D-glucuronide
014954Irbesartan N-β-D-2,3,4-Tri-O-acetyl-glucuronide Methyl Ester
TRC-I751020-50MGIrbesartan N-Beta-D-2,3,4-Tri-O-acetyl-glucuronide Methyl Ester
MC09817-01Candesartan N2-glucuronide
293858-01Losartan N2-glucuronide
468568-01Valsartan N2-Glucuronide
TRC-D299560-10MGDexmedetomidine-N2-glucuronide

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