Guangzhou Topwork Chemical

881386-12-5

Chemistry, 1 End Use API, 91 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 881386-12-5, Ethyl 6-[4-(5-bromopentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate, Schembl15174803, Zinc100469416

Molecular Formula

C₂₇H₂₉BrN₄O₅

Molecular Weight

569.4 g/mol

InChI Key

OUHRTPGKRLEZKI-UHFFFAOYSA-N

FDA UNII

NR729P2SS7

1 2D Structure

881386-12-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 6-[4-(5-bromopentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C27H29BrN4O5/c1-3-37-27(35)24-22-15-17-31(19-9-7-18(8-10-19)29-23(33)6-4-5-16-28)26(34)25(22)32(30-24)20-11-13-21(36-2)14-12-20/h7-14H,3-6,15-17H2,1-2H3,(H,29,33)

2.1.3 InChI Key

OUHRTPGKRLEZKI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)NC(=O)CCCCBr)C4=CC=C(C=C4)OC

2.2 Other Identifiers

2.2.1 UNII

NR729P2SS7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 881386-12-5

2. Ethyl 6-[4-(5-bromopentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

3. Schembl15174803

4. Zinc100469416

2.4 Create Date

2013-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₉BrN₄O₅
Molecular Weight	569.4 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	103
Heavy Atom Count	37
Formal Charge	0
Complexity	785
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

545445-44-1

End Use API

Guangzhou Topwork Chemical Co., Ltd. Specializes in manufacturing corticosteroid and relative intermediat...

Guangzhou Topwork Chemical Co., Ltd. Specializes in manufacturing corticosteroid and relative intermediates. We provide high quality products and excellent service to our clients and have gained a high business reputation in the world market. Topwork gathers a group of energetic, hardworking and much experienced experts. They dedicate their entire efforts to research and development of new products. To guarantee the quality of our products, we have established an international standard quality control system. All of our products conform the latest standard of USP, EP, BP and CP.

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