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CAS 201856-53-3

CAS 201856-53-3

Chemistry, 1 End Use API, 16 Related Intermediates

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CAS 201856-53-3

Also known as: 201856-53-3, (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone, Schembl1134975, Amy16038, Akos016005641, Ac-23879

Molecular Formula

C₂₀H₂₁NO₄

Molecular Weight

339.4 g/mol

InChI Key

XSYLUBKWRZCOQP-CXRLMVSZSA-N

1 2D Structure

CAS 201856-53-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one

2.1.2 InChI

InChI=1S/C20H21NO4/c1-3-24-14(2)25-18-17(15-10-6-4-7-11-15)21(20(18)23)19(22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14?,17-,18+/m0/s1

2.1.3 InChI Key

XSYLUBKWRZCOQP-CXRLMVSZSA-N

2.1.4 Canonical SMILES

CCOC(C)OC1C(N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

2.1.5 Isomeric SMILES

CCOC(C)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 201856-53-3

2. (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone

3. Schembl1134975

4. Amy16038

5. Akos016005641

6. Ac-23879

7. 856b533

8. A814313

9. J-501259

10. (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-azetidin-2-one

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₁NO₄
Molecular Weight	339.4 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	339.14705815 g/mol
Monoisotopic Mass	339.14705815 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	468
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

201856-53-3

Intermediate Name

(3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy...

About the Company

Fujian South Pharmaceutical Co., Ltd. (Southern Pharmaceutical) was established in September 2001 and is ...

Fujian South Pharmaceutical Co., Ltd. (Southern Pharmaceutical) was established in September 2001 and is located in Mingxi County, Fujian Province. After 16 years of development, Nanfang Pharmaceutical has grown into a major domestic manufacturer of anti-tumor raw materials and intermediates, and has expanded to non-anti-tumor drugs. Using the company's accumulated rich experience and first-class technology in plant extraction, the company's product line has been expanded to the field of plant-derived products.

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