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CAS 5368-23-0

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

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Jai Radhe Sales is your partner for all your sourcing needs.

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Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

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Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 17 Related Intermediates

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1 End Use APIs
17 Related Intermediates

Chemistry

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Also known as: 5368-23-0, Nsc70394, Starbld0019152, Schembl6068444, Dtxsid80290684, Juwzykunwptanz-uhfffaoysa-n

Molecular Formula

C₁₇H₁₈N₂O

Molecular Weight

266.34 g/mol

InChI Key

JUWZYKUNWPTANZ-UHFFFAOYSA-N

CAS 5368-23-0

1 2D Structure

CAS 5368-23-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-benzyl-3-phenylpiperazin-2-one

2.1.2 InChI

InChI=1S/C17H18N2O/c20-17-16(15-9-5-2-6-10-15)19(12-11-18-17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,20)

2.1.3 InChI Key

JUWZYKUNWPTANZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)CC3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5368-23-0

2. Nsc70394

3. Starbld0019152

4. Schembl6068444

5. Dtxsid80290684

6. Juwzykunwptanz-uhfffaoysa-n

7. 4-benzyl-2-oxo-3-phenylpiperazine

8. Nsc-70394

9. 2-piperazinone, 3-phenyl-4-(phenylmethyl)-

10. Cs-0162919

11. D85588

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₈N₂O
Molecular Weight	266.34 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	32.3
Heavy Atom Count	20
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

BUILDING BLOCK

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