Asolution Pharmaceuticals Pvt Ltd | 1869118-25-1 | Related Intermediates | Manufacturers & Suppliers

1869118-25-1

Chemistry, 1 End Use API, 28 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

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Also known as: 1869118-25-1, 1-[(benzyloxy)carbonyl]-4-ethyl-2,5-dihydro-1h-pyrrole-3-carboxylic acid, 1h-pyrrole-1,3-dicarboxylic acid, 4-ethyl-2,5-dihydro-, 1-(phenylmethyl) ester, Schembl18740435, Dtxsid001137343, Sb92a73z74

Molecular Formula

C₁₅H₁₇NO₄

Molecular Weight

275.30 g/mol

InChI Key

HFBYGZWWAMZBID-UHFFFAOYSA-N

FDA UNII

SB92A73Z74

1 2D Structure

1869118-25-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-ethyl-1-phenylmethoxycarbonyl-2,5-dihydropyrrole-3-carboxylic acid

2.1.2 InChI

InChI=1S/C15H17NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,18)

2.1.3 InChI Key

HFBYGZWWAMZBID-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=C(CN(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

SB92A73Z74

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1869118-25-1

2. 1-[(benzyloxy)carbonyl]-4-ethyl-2,5-dihydro-1h-pyrrole-3-carboxylic Acid

3. 1h-pyrrole-1,3-dicarboxylic Acid, 4-ethyl-2,5-dihydro-, 1-(phenylmethyl) Ester

4. Schembl18740435

5. Dtxsid001137343

6. Sb92a73z74

7. Db-162007

8. G71031

9. 1-(phenylmethyl) 4-ethyl-2,5-dihydro-1h-pyrrole-1,3-dicarboxylate

2.4 Create Date

2017-08-04

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₇NO₄
Molecular Weight	275.30 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66.8
Heavy Atom Count	20
Formal Charge	0
Complexity	410
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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ASolution Pharmaceuticals

ASolution Pharmaceuticals: Your Partner for cGMP Development & Manufacturing Services – Supplying APIs, FDFs, and Specialty Molecules.

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CAS Number

5034-06-0

End Use API

Upadacitinib

About the Company

Since 2010, our dedication to our clientele has been unwavering in addressing pharmaceutical hurdles, reg...

Since 2010, our dedication to our clientele has been unwavering in addressing pharmaceutical hurdles, regardless of scale. We prioritize integrity, responsiveness, and punctuality, embedding our values into every endeavor. Our aim is to cultivate mutually beneficial relationships with customers, suppliers, and ourselves, fostering sustainable growth. Empowered by visionary leadership and a quality-driven team, ASolution is steadfast in providing innovative solutions to challenges such as Process Development, Optimization, Drug Product and Substance Manufacturing, and more.