Text Search
Structure Search

trityl candesartan cilexetil

trityl candesartan cilexetil

CAS: 170791-09-0

Formula: C52H48N6O6

SMILES: CCOC1=NC2=CC=CC(C(=O)OC(C)OC(=O)OC3CCCCC3)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-({2'-[1-(triphenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]-[1,1'-biphenyl]-4-yl}methyl)-1H-1,3-benzodiazole-7-carboxylate

InChI: InChI=1/C52H48N6O6/c1-3-61-50-53-46-30-18-29-45(49(59)62-36(2)63-51(60)64-42-25-14-7-15-26-42)47(46)57(50)35-37-31-33-38(34-32-37)43-27-16-17-28-44(43)48-54-55-56-58(48)52(39-19-8-4-9-20-39,40-21-10-5-11-22-40)41-23-12-6-13-24-41/h4-6,8-13,16-24,27-34,36,

Composition: C (73.22%), H (5.67%), N (9.85%), O (11.25%)

Molar Mass: 852.992

Atom Count: 112

Heavy Atom Count: 64

Properties
Properties
Common Names trityl candesartan cilexetil
Aromatic Ring Count 8
Asymmetric Atom Count 1
Exact Mass 852.36353329
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
InChIKey MOHQWFWIPOOTGV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 267.69
Topological Polar Surface Area 132.48
Polarizability 97.1
Ring Count 9
Rotatable Bond Count 17

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 170791-09-0 $84.87-$424.35$84.87$116.96$192.51$424.35
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 170791-09-0 $61.79-$361.91$61.79$89.53$156.36$361.91
Request Quote