Sertraline EP Impurity B HCl

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CAS Number

52758-05-1

Synonyms

(1S,4S) -N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride; cis-1,2,3,4-Tetrahydro-N-methyl-4-phenyl-1-naphthalenamine Hydrochloride; cis- (±) -1,2,3,4-Tetrahydro-N-methyl-4-phenyl-1-naphthalenamine Hydrochloride; (1R, ?4R) ?-?rel-1, ?2, ?3, ?4-?Tetrahydro-?N-?methyl-?4-?phenyl-?1-naphthalenamine hydrochloride (1:1) ; Sertraline EP Impurity B; ?rac-cis-3,4-Deschlorosertraline

Molecular Formula

C17H19N. HCl

Molecular Weight

237.35; 36.46

API Name

Sertraline

Chemical Information

1-Naphthylamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (Z)-

CAS Number	52758-05-1
PubChem CID	3034724
IUPAC Name	(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molecular Formula	C17H20ClN
Molecular Weight	273.8
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	256

SMILES

CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC=CC=C3.Cl

InChI

InChI=1S/C17H19N.ClH/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;/h2-10,14,17-18H,11-12H2,1H3;1H/t14-,17-;/m0./s1

InChIKey

XTSOELQVDLSJFM-RVXRQPKJSA-N

Chemical Structure

2D Structure

CAS: 52758-05-1

CID: 3034724

Formula: C17H20ClN

MW: 273.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	273.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	273.1284273
Monoisotopic Mass	273.1284273
Topological Polar Surface Area	12 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-S01309-01	Sertraline EP Impurity A HCl
AR-S09394-01	Sertraline EP Impurity A HCl (rac-trans-Sertraline HCl)
AR-S01312-01	Sertraline EP Impurity C HCl
AR-S10172-01	Sertraline EP Impurity D HCl
AR-S02186-01	Sertraline EP Impurity D HCl
AR-S01297-01	(R, R) -Sertraline HCl (Sertraline EP Impurity G HCl)
AR-S01302-01	Sertraline EP Impurity D HCl (Racemic)
AR-S02185-01	Sertraline EP Impurity A
AR-S01292-01	Sertraline EP Impurity C HCl (1S,4S-Isomer)
AR-S09369-01	Sertraline EP Impurity C HCl (Mixture of cis Isomers)

Alternative Products

Catalog	Name
RM-S201201-01	Sertraline EP Impurity A (Rac-Trans-Sertraline)
RM-S201227-01	Sertraline Impurity 27
RM-S201228-01	Sertraline Impurity 28
RM-S201229-01	Sertraline Impurity 29
RM-S201233-01	Sertraline Impurity 33
RM-S201218-01	Sertraline Impurity 18
RM-S201219-01	Sertraline Impurity 19
RM-S201223-01	Sertraline Impurity 23
RM-S201245-01	Sertraline Impurity 45
RM-S201242-01	Sertraline Impurity 42

Sertraline EP Impurity B HCl

Chemical Information

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