Shamrock Medicaments

Dibenzimidazole

Chemistry, 1 End Use API, 38 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 884330-14-7, 2-[4-[[2-[3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methyl-2-propylbenzimidazol-5-yl]benzimidazol-1-yl]methyl]phenyl]benzoic acid, Schembl8267678, Dtxsid20730877, 4',4''-[(7'-methyl-2'-propyl[1h,3'h-2,5'-bibenzimidazole]-1,3'-diyl)bis(methylene)]di([1,1'-biphenyl]-2-carboxylic acid)

Molecular Formula

C₄₆H₃₈N₄O₄

Molecular Weight

710.8 g/mol

InChI Key

CEZAWGSRRZSCPG-UHFFFAOYSA-N

1 2D Structure

Dibenzimidazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[[2-[3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methyl-2-propylbenzimidazol-5-yl]benzimidazol-1-yl]methyl]phenyl]benzoic acid

2.1.2 InChI

InChI=1S/C46H38N4O4/c1-3-10-42-48-43-29(2)25-34(26-41(43)49(42)27-30-17-21-32(22-18-30)35-11-4-6-13-37(35)45(51)52)44-47-39-15-8-9-16-40(39)50(44)28-31-19-23-33(24-20-31)36-12-5-7-14-38(36)46(53)54/h4-9,11-26H,3,10,27-28H2,1-2H3,(H,51,52)(H,53,54)

2.1.3 InChI Key

CEZAWGSRRZSCPG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5CC7=CC=C(C=C7)C8=CC=CC=C8C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 884330-14-7

2. 2-[4-[[2-[3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methyl-2-propylbenzimidazol-5-yl]benzimidazol-1-yl]methyl]phenyl]benzoic Acid

3. Schembl8267678

4. Dtxsid20730877

5. 4',4''-[(7'-methyl-2'-propyl[1h,3'h-2,5'-bibenzimidazole]-1,3'-diyl)bis(methylene)]di([1,1'-biphenyl]-2-carboxylic Acid)

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₄₆H₃₈N₄O₄
Molecular Weight	710.8 g/mol
XLogP3	9.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	110
Heavy Atom Count	54
Formal Charge	0
Complexity	1250
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

124750-51-2

End Use API

Telmisartan

About the Company

Shamrock Medicaments Ltd, formerly known as Doctor Lifeline Remedies India Ltd, has an intriguing evoluti...

Shamrock Medicaments Ltd, formerly known as Doctor Lifeline Remedies India Ltd, has an intriguing evolution. Established within the robust Shamrock Group in 2001 with a hefty $35 million investment, its inception aimed to cater to the global pharmaceutical market by leveraging India's capabilities. Over time, the company diversified its offerings, expanding into custom manufacturing of pharmaceutical raw materials, intermediates, and chemicals pertinent to the pharmaceutical industry. This strategic expansion likely enabled Shamrock Medicaments Ltd to cement its position as a significant player in the pharmaceutical landscape.

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