3-DESCHLOROSERTRALINE, CIS-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H18ClN
Molecular Weight	271.785
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-DESCHLOROSERTRALINE, CIS-(±)-

Structure Search

SMILES

CN[C@@H]1CC[C@H](C2=CC=C(Cl)C=C2)C3=C1C=CC=C3

InChI

InChIKey=LLMOMOOMHWFGRN-RHSMWYFYSA-N

InChI=1S/C17H18ClN/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/t14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H18ClN
Molecular Weight	271.785
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:03:05 GMT 2023` Edited by `admin` on `Sat Dec 16 08:03:05 GMT 2023`
Record UNII	EI70WPF3PV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-DESCHLOROSERTRALINE, CIS-(±)-

Common Name

English

(1RS,4RS)-4-(4-CHLOROPHENYL)-N-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE

Systematic Name

English

3-DESCHLORO SERTRALINE, CIS-(±)-

Common Name

English

1-NAPHTHALENAMINE, 4-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-, CIS-

Systematic Name

English

SERTRALINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

EI70WPF3PV

Created by admin on Sat Dec 16 08:03:05 GMT 2023 , Edited by admin on Sat Dec 16 08:03:05 GMT 2023

PRIMARY

PUBCHEM

13408708

Created by admin on Sat Dec 16 08:03:05 GMT 2023 , Edited by admin on Sat Dec 16 08:03:05 GMT 2023

PRIMARY

CAS

107538-91-0

Created by admin on Sat Dec 16 08:03:05 GMT 2023 , Edited by admin on Sat Dec 16 08:03:05 GMT 2023

PRIMARY

Related Record Type Details


					UTI8907Y6X

SERTRALINE HYDROCHLORIDE

PARENT -> IMPURITY

Comments:

sum of impurities C and D: maximum 0.8 per cent

Interaction Type:

CHROMATOGRAPHIC PURITY (GC)

Qualification:

EP

Amount: