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CAS 147403-65-4
Also known as: 147403-65-4, Schembl16367902, Amy4361, Dtxsid10570360, Mfcd21496678, Akos016004226
Molecular Formula
C25H24N4O4
Molecular Weight
444.5  g/mol
InChI Key
OQJREYQHKLULTR-UHFFFAOYSA-N

1 2D Structure

CAS 147403-65-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-ethoxy-3-[[4-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate
2.1.2 InChI
InChI=1S/C25H24N4O4/c1-3-33-25-27-21-10-6-9-20(24(30)32-2)22(21)29(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23(26)28-31/h4-14,31H,3,15H2,1-2H3,(H2,26,28)
2.1.3 InChI Key
OQJREYQHKLULTR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=NO)N)C(=O)OC
2.1.5 Isomeric SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4/C(=N/O)/N)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 147403-65-4

2. Schembl16367902

3. Amy4361

4. Dtxsid10570360

5. Mfcd21496678

6. Akos016004226

7. Ds-3760

8. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-[[2'-[(hydroxyamino)iminomethyl][1,1'-biphenyl]-4-yl]methyl]-, Methyl Ester

9. Ac-25906

10. (z)-methyl 2-ethoxy-3-((2-(n-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-3h-benzo[d] Imidazole-4-carboxylate

11. Methyl 2-ethoxy-1-{[2'-(n'-hydroxycarbamimidoyl)[1,1'-biphenyl]-4-yl]methyl}-1h-benzimidazole-7-carboxylate

12. Methyl 2-ethoxy-3-[[4-[2-[(z)-n\'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 444.5 g/mol
Molecular Formula C25H24N4O4
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass444.17975526 g/mol
Monoisotopic Mass444.17975526 g/mol
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing ...
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Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufactur...
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Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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