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Sertraline EP Impurity C HCl

CAT: 1596-AR-S01312-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01312-01Size:10 Units
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CAS Number
79559-98-1
Synonyms
(1R,4R) -rel-4- (4-Chlorophenyl) -1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine Hydrochloride; cis- (±) -4- (4-Chlorophenyl) -1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine Hydrochloride; Sertraline EP Impurity C; rac-cis-3-Dechloro Sertraline Hydrochloride
Molecular Formula
C17H18ClN. HCl
Molecular Weight
271.79; 36.46
API Name
Sertraline

Chemical Information

3-Dechloro Sertraline Hydrochloride
CAS Number79559-98-1
PubChem CID13408710
IUPAC Name(1S,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molecular FormulaC17H19Cl2N
Molecular Weight308.2
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity285
SMILES
CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC=C(C=C3)Cl.Cl
InChI
InChI=1S/C17H18ClN.ClH/c1-19-17-11-10-14(12-6-8-13(18)9-7-12)15-4-2-3-5-16(15)17;/h2-9,14,17,19H,10-11H2,1H3;1H/t14-,17-;/m0./s1
InChIKey
QTILPEMKUQBCMU-RVXRQPKJSA-N
Chemical Structure
2D Structure
2D structure of 3-Dechloro Sertraline Hydrochloride
CAS: 79559-98-1
CID: 13408710
Formula: C17H19Cl2N
MW: 308.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass307.0894550
Monoisotopic Mass307.0894550
Topological Polar Surface Area12 Ų
Heavy Atom Count20
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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