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N-Desmethyl Telmisartan

CAT: 0572-TRC-D294250-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D294250-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144701-81-5
Synonyms
N-Desmethyl Telmisartan
Hazard Statement
No Data Available
Smiles
CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6[nH]5
Molecular Formula
C32 H28 N4 O2
Molecular Weight
500.59
InChI
InChI=1S/C32H28N4O2/c1-3-8-29-35-30-20(2)17-23(31-33-26-11-6-7-12-27(26)34-31)18-28(30)36(29)19-21-13-15-22(16-14-21)24-9-4-5-10-25(24)32(37)38/h4-7,9-18H,3,8,19H2,1-2H3,(H,33,34)(H,37,38)
Additionnal Information
IUPAC name: 2-[4-[[6-(1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
Shipping Conditions
Room Temperature

Chemical Information

Desmethyl Telmisartan
CAS Number144701-81-5
PubChem CID15870912
IUPAC Name2-[4-[[6-(1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
Molecular FormulaC32H28N4O2
Molecular Weight500.6
XLogP7
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity800
SMILES
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C32H28N4O2/c1-3-8-29-35-30-20(2)17-23(31-33-26-11-6-7-12-27(26)34-31)18-28(30)36(29)19-21-13-15-22(16-14-21)24-9-4-5-10-25(24)32(37)38/h4-7,9-18H,3,8,19H2,1-2H3,(H,33,34)(H,37,38)
InChIKey
VRBXIPRPTFMJQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmethyl Telmisartan
CAS: 144701-81-5
CID: 15870912
Formula: C32H28N4O2
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass500.22122615
Monoisotopic Mass500.22122615
Topological Polar Surface Area83.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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