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Trityl candesartan

CAT: 0931-T65740-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T65740-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139481-72-4
Target
Others
Related Pathways
Others
Purity
0.9933
Bioactivity
Trityl candesartan is a crucial intermediate used in the synthesis of Candesartan and Candesartan cilexetil, which are angiotensin II receptor antagonists.
Smiles
CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Molecular Formula
C43H34N6O3
Molecular Weight
682.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid

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CAS Number139481-72-4
PubChem CID10312563
IUPAC Name2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular FormulaC43H34N6O3
Molecular Weight682.8
XLogP8.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count52
Formal Charge0
Complexity1090
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI
InChI=1S/C43H34N6O3/c1-2-52-42-44-38-24-14-23-37(41(50)51)39(38)48(42)29-30-25-27-31(28-26-30)35-21-12-13-22-36(35)40-45-46-47-49(40)43(32-15-6-3-7-16-32,33-17-8-4-9-18-33)34-19-10-5-11-20-34/h3-28H,2,29H2,1H3,(H,50,51)
InChIKey
VBMKOTRJWPIKMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid
CAS: 139481-72-4
CID: 10312563
Formula: C43H34N6O3
MW: 682.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.8
XLogP38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass682.26923897
Monoisotopic Mass682.26923897
Topological Polar Surface Area108 Ų
Heavy Atom Count52
Formal Charge0
Complexity1090
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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Alternative Products

CatalogName
M35878-01Trityl candesartan
FT28595-01N-Trityl candesartan
sc-481992Trityl candesartan cilexetil
sc-219263N-Trityl Candesartan Trityl Ester
RM-C192040-01Candesartan Trityl Ester N1-Trityl Analog
RM-C192038-01Candesartan N2-Trityl Impurity
MBS6075334-01N-Trityl Candesartan Cilexetil
022552N-Trityl Candesartan Ethyl Ester

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