Sertraline EP Impurity A HCl

CAT: 1596-AR-S01309-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S01309-01Size:10 Units

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CAS Number

79617-99-5

Synonyms

(1R,4S) -rel-4- (3,4-Dichlorophenyl) -1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine Hydrochloride

Molecular Formula

C17H17Cl2N; HCl

Molecular Weight

306.23; 36.46

API Name

Sertraline

Chemical Information

Sertraline Hydrochloride, trans-(A+-)-

CAS Number	79617-99-5
PubChem CID	18600608
IUPAC Name	(1R,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molecular Formula	C17H18Cl3N
Molecular Weight	342.7
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	322

SMILES

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

InChI

InChI=1S/C17H17Cl2N.ClH/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;1H/t12-,17+;/m0./s1

InChIKey

BLFQGGGGFNSJKA-LWHGMNCYSA-N

Chemical Structure

2D Structure

CAS: 79617-99-5

CID: 18600608

Formula: C17H18Cl3N

MW: 342.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	341.050483
Monoisotopic Mass	341.050483
Topological Polar Surface Area	12 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	322
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

Catalog	Name
AR-S02185-01	Sertraline EP Impurity A
AR-S02229-01	Sertraline EP Impurity G
AR-S02228-01	Sertraline EP Impurity C
AR-S01295-01	Sertraline EP Impurity F
AR-S01307-01	Sertraline Dimethyl Impurity HCl
AR-S10176-01	Sertraline Impurity 4 HCl
AR-S10163-01	Sertraline Impurity 13 HCl
AR-S10164-01	Sertraline Impurity 14 HCl
AR-S09537-01	Sertraline Impurity 22 HCl
AR-S10181-01	Sertraline Impurity 21 HCl

Catalog	Name
RM-S201201-01	Sertraline EP Impurity A (Rac-Trans-Sertraline)
RM-S201245-01	Sertraline Impurity 45
RM-S201242-01	Sertraline Impurity 42
RM-S201267-01	Sertraline Impurity 67
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