Close
4
Pipeline-Prospector-Insert
X

Overview

Client Email Product
CAS 1040250-19-8
PharmaCompass
  • Chemistry
CAS 1040250-19-8
Also known as: Olmesartan dimer ester impurity, 1040250-19-8, Olmesartan dimer ester, Dtxsid50856130, Zinc150350216, Acn-026596
Molecular Formula
C48H50N12O5
Molecular Weight
875.007  g/mol
InChI Key
QTZDCAYLDWDQKW-UHFFFAOYSA-N

1 2D Structure

CAS 1040250-19-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbonyl]oxypropan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
2.1.2 InChI
InChI=1S/C48H50N12O5/c1-7-13-37-49-41(47(3,4)64)40(60(37)28-30-21-25-32(26-22-30)34-16-10-12-18-36(34)44-53-57-58-54-44)46(63)65-48(5,6)42-39(45(61)62)59(38(50-42)14-8-2)27-29-19-23-31(24-20-29)33-15-9-11-17-35(33)43-51-55-56-52-43/h9-12,15-26,64H,7-8,13-14,27-28H2,1-6H3,(H,61,62)(H,51,52,55,56)(H,53,54,57,58)
2.1.3 InChI Key
QTZDCAYLDWDQKW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)OC(=O)C5=C(N=C(N5CC6=CC=C(C=C6)C7=CC=CC=C7C8=NNN=N8)CCC)C(C)(C)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Olmesartan Dimer Ester Impurity

2. 1040250-19-8

3. Olmesartan Dimer Ester

4. Dtxsid50856130

5. Zinc150350216

6. Acn-026596

7. Rp17802

8. He291607

9. Ft-0673276

10. J-502807

11. 1-((2'-(1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-4-(2-((1-((2'-(1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-4-(2-hydroxypro Pan-2-yl)-2-propyl-1h-imidazole-5-carbonyl)oxy)propan-2-yl)-2-propyl

12. 1-((2'-(2h-tetrazol-5-yl)biphenyl-4-yl)methyl)-4-(2-(1-((2'-(2h-tetrazol-5-yl)biphenyl-4-yl)methyl)-4-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-5-carbonyloxy)propan-2-yl)-2-propyl-1h-imidazole-5-carboxylic Acid

13. 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic Acid 1-[5-carboxy-2-propyl-1-[[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1h-imidazol-4-yl]-1-methylethyl Ester

14. 4-(2-{[4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1h-imidazole-5-carbonyl]oxy}propan-2-yl)-2-propyl-1-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1

2.3 Create Date
2013-06-10
3 Chemical and Physical Properties
Molecular Weight 875.007 g/mol
Molecular Formula C48H50N12O5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Exact Mass874.403 g/mol
Monoisotopic Mass874.403 g/mol
Topological Polar Surface Area228 A^2
Heavy Atom Count65
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us