ChemicalBook--->CAS DataBase List--->91797-57-8

91797-57-8

91797-57-8 Structure

91797-57-8 Structure
IdentificationBack Directory
[Name]

rac-cis-N-Desmethyl Sertraline Hydrochloride
[CAS]

91797-57-8
[Synonyms]

Sertraline N-Desmethyl Impurity
Norsertraline hydrochloride solution
cis- 4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine Hydrochloride
cis-(-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine Hydrochloride
[EINECS(EC#)]

200-659-6
[Molecular Formula]

C16H16Cl3N
[MDL Number]

MFCD08063707
[MOL File]

91797-57-8.mol
[Molecular Weight]

328.66
Chemical PropertiesBack Directory
[Appearance]

White Powder
[Melting point ]

301-303°C
[Fp ]

9℃
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Major Application]

clinical testing
[InChI]

1S/C16H15Cl2N.ClH/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13;/h1-5,7,9,11,16H,6,8,19H2;1H/t11-,16-;/m0./s1
[InChIKey]

YKXHIERZIRLOLD-RISSCEEYSA-N
[SMILES]

N[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C3=C1C=CC=C3.[H]Cl
[EPA Substance Registry System]

1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, hydrochloride (1:1), (1R,4R)-rel- (91797-57-8)
Hazard InformationBack Directory
[Chemical Properties]

White Powder
[Uses]

A racemate of a metabolite of Sertraline. N-Desmethyl sertraline is significantly less active analogue as compared to the methylated compound, Sertraline
Safety DataBack Directory
[Symbol(GHS) ]


GHS02,GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H301+H311+H331-H370
[Precautionary statements ]

P210-P260-P280-P301+P310-P311
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-39/23/24/25
[Safety Statements ]

7-16-36/37-45
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

1
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
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