Sertraline

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via JSmol

Physical properties []
Molecular mass	306.2 g/mol [1]
Melting point	245-246 [1]
Boiling point	416.3±45.0 °C [1]
Solubility	>45.9 [ug/mL] (The mean of the results at pH 7.4) [1]
Predicted LogP	4.8 [1]

Structural Identifiers []
Molecular formula	C17H17Cl2N [1]
IUPAC name	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine [1]
SMILES	CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl [1]
InChI	InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 [1]
InChIKey	VGKDLMBJGBXTGI-SJCJKPOMSA-N [1]

Sertraline

Sertraline (also known as Sertralina, (+)-Sertraline, Sertralinum, Cp 51974, cis-(+)-sertraline, (1S,4S)-sertraline, (1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine, CP-519741, 1-Naphthalenamine, 1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-, (1S-cis)- or 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1S,4S)-)

Chemistry