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CAS	5368-23-0
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

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 Weight 266.34 g/mol
Molecular Formula C17H18N2O
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area32.3
Heavy Atom Count20
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag South Korea
Digital Content Digital Content
URL Supplier Web Content
23612-57-9
Mirtazapine
ESTECHPHARMA CO.,LTD., as one of the active pharmaceutical company, is remarkably growing more than 30% e...
ESTECHPHARMA CO.,LTD., as one of the active pharmaceutical company, is remarkably growing more than 30% every year by concentrating all our efforts into developing new technologies by investing more than 15% of the annual turnover into R&D since our foundation in 1996. That is company ideology, challenge and creation. We've succeeded in synthesizing 40 kinds of APIs like Anti-inflammatory medicine, Anti-ulcerants, Anti-hepatitis, Treatments of Alcoholism, and etc secondly or thirdly in the world or firstly in Korea, and have been producing and supplying continuously to our customers.
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