Close
4
USFDA-Insert
X

Overview of CAS 124379-29-9

Client Email Product
(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
PharmaCompass
(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
Also known as: (4s)-(3',4'-dichlorophenyl)-3,4-dihydro-2h-naphthalen-1-one, 124379-29-9, Unii-3383lz11nq, Jgmbhjnmqvkdmw-nshdsacasa-n, 1(2h)-naphthalenone,4-(3,4-dichlorophenyl)-3,4-dihydro-, (4s)-, Sertraline, ketone
Molecular Formula
C16H12Cl2O
Molecular Weight
291.171  g/mol
InChI Key
JGMBHJNMQVKDMW-NSHDSACASA-N
FDA UNII
3383LZ11NQ

1 2D Structure

(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
2.1.2 InChI
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m0/s1
2.1.3 InChI Key
JGMBHJNMQVKDMW-NSHDSACASA-N
2.1.4 Canonical SMILES
C1CC(=O)C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl
2.1.5 Isomeric SMILES
C1CC(=O)C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
3383LZ11NQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. (4s)-(3',4'-dichlorophenyl)-3,4-dihydro-2h-naphthalen-1-one

2. 124379-29-9

3. Unii-3383lz11nq

4. Jgmbhjnmqvkdmw-nshdsacasa-n

5. 1(2h)-naphthalenone,4-(3,4-dichlorophenyl)-3,4-dihydro-, (4s)-

6. Sertraline, Ketone

7. Ac1lt0ry

8. Schembl260276

9. Ctk4b3866

10. 3383lz11nq

11. Zinc1386270

12. Akos022186030

13. Api0005608

14. Aj-25451

15. Ak144220

16. Cj-04870

17. Zb016720

18. (s)-4-(3,4-dichlorophenyl)-1-tetralone

19. Rt-005568

20. Ft-0666607

21. Ft-0666608

22. 379d299

23. J-005071

24. (s)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2h)-one

25. (4s)-4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalenone

26. (4s)-4-(3,4-dichlorophenyl)-3,4-dihydro-2h-naphthalen-1-one

27. (4s)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2h)-one

28. (s)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1 (2h)-one

2.4 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 291.171 g/mol
Molecular Formula C16H12Cl2O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass290.027 g/mol
Monoisotopic Mass290.027 g/mol
Topological Polar Surface Area17.1 A^2
Heavy Atom Count19
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us