Shandong Loncom Pharmaceutical

CAS 1397836-41-7

Chemistry, 3 End Use API, 44 Related Intermediates

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Also known as: 1397836-41-7, Schembl17695745, Schembl17998734, Mfcd28404673, Ethyl 2-ethoxy-1-((2-(n-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate, (z)-ethyl-2-ethoxy-3-((2-(n-hydroxycarbamimidoyl) biphenyl-4-yl) methyl)-3h-benzo[d] imidazole-4-carboxylate

Molecular Formula

C₂₆H₂₆N₄O₄

Molecular Weight

458.5 g/mol

InChI Key

DVODSSZMOBIHGO-UHFFFAOYSA-N

1 2D Structure

CAS 1397836-41-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-ethoxy-3-[[4-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

2.1.2 InChI

InChI=1S/C26H26N4O4/c1-3-33-25(31)21-10-7-11-22-23(21)30(26(28-22)34-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24(27)29-32/h5-15,32H,3-4,16H2,1-2H3,(H2,27,29)

2.1.3 InChI Key

DVODSSZMOBIHGO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=NO)N)C(=O)OCC

2.1.5 Isomeric SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4/C(=N/O)/N)C(=O)OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1397836-41-7

2. Schembl17695745

3. Schembl17998734

4. Mfcd28404673

5. Ethyl 2-ethoxy-1-((2-(n-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

6. (z)-ethyl-2-ethoxy-3-((2-(n-hydroxycarbamimidoyl) Biphenyl-4-yl) Methyl)-3h-benzo[d] Imidazole-4-carboxylate

7. Ethyl 2-ethoxy-1-((2'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

8. Ethyl2-ethoxy-1-((2'-(n'-hydroxycarbamimidoyl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

2.3 Create Date

2012-10-08

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₆N₄O₄
Molecular Weight	458.5 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	458.19540532 g/mol
Monoisotopic Mass	458.19540532 g/mol
Topological Polar Surface Area	112 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	696
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Shandong Loncom is an R&D-focused manufacturer of Anti-cancer APIs.

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Methyl2-Ethoxy-1-((2'-(N-Hydroxycarbamimidoyl)-[1,1'-Bi...

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CAS Number

147403-65-4

End Use API

Azilsartan

About the Company

Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong ...

Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong Bestcomm Pharmaceutical Co., Ltd. Situated in the Qihe Economic Development Zone, Shandong Province, Shandong Loncom has operational API pilot tests and production bases adhering to international standards. With 13 production lines dedicated to oral solid preparations, oral liquid preparations and API, it is actively expanding its preparation workshops for small-volume injections, soft capsules, eye drops, topical medicines and innovative drug R&D centres.