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Telmisartan Acyl-beta-D-glucuronide

CAT: 0572-TRC-T017010-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T017010-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
250780-40-6
Hazard Statement
Suspected of damaging fertility or the unborn child; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)c6nc7ccccc7n6C
Molecular Formula
C39 H38 N4 O8
Molecular Weight
690.74
InChI
InChI=1S/C39H38N4O8/c1-4-9-30-41-31-21(2)18-24(36-40-27-12-7-8-13-28(27)42(36)3)19-29(31)43(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)38(49)51-39-34(46)32(44)33(45)35(50-39)37(47)48/h5-8,10-19,32-35,39,44-46H,4,9,20H2,1-3H3,(H,47,48)/t32-,33-,34+,35-,39-/m0/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoyl]oxyoxane-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Telmisartan glucuronide
CAS Number250780-40-6
PubChem CID16681706
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoyl]oxyoxane-2-carboxylic acid
Molecular FormulaC39H38N4O8
Molecular Weight690.7
XLogP5.4
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count51
Formal Charge0
Complexity1200
SMILES
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=C(C=C2C)C6=NC7=CC=CC=C7N6C
InChI
InChI=1S/C39H38N4O8/c1-4-9-30-41-31-21(2)18-24(36-40-27-12-7-8-13-28(27)42(36)3)19-29(31)43(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)38(49)51-39-34(46)32(44)33(45)35(50-39)37(47)48/h5-8,10-19,32-35,39,44-46H,4,9,20H2,1-3H3,(H,47,48)/t32-,33-,34+,35-,39-/m0/s1
InChIKey
RCOBUBSULFIXAR-QQPFWGBFSA-N
Chemical Structure
2D Structure
2D structure of Telmisartan glucuronide
CAS: 250780-40-6
CID: 16681706
Formula: C39H38N4O8
MW: 690.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight690.7
XLogP35.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass690.26896418
Monoisotopic Mass690.26896418
Topological Polar Surface Area169 Ų
Heavy Atom Count51
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count5
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
MBS5797127-01Telmisartan Acyl-beta-D-Glucuronide
BICL4201-01Telmisartan-acyl-beta-D-glucuronide
HY-137959-01Telmisartan acyl-β-D-glucuronide
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sc-220198Telmisartan-d3 Acyl-β-D-glucuronide
AR-T01371-01Telmisartan acyl glucuronide
294899-01Telmisartan-D3-acyl-b-D-glucuronide
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