Shandong Chenghui Shuangda Pharmaceutical | 1869118-25-1 | Related Intermediates | Manufacturers & Suppliers

1869118-25-1

Chemistry, 1 End Use API, 28 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

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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CAS Number

1428243-28-0

End Use API

Upadacitinib

About the Company

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.