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Details

Stereochemistry ACHIRAL
Molecular Formula C17H18F3NO.ClH
Molecular Weight 345.787
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYL-3-PHENYL-3-((ALPHA, ALPHA, ALPHA-TRIFLUORO-M-TOLYL)OXY)PROPYLAMINE HYDROCHLORIDE

SMILES

Cl.CNCCC(OC1=CC(=CC=C1)C(F)(F)F)C2=CC=CC=C2

InChI

InChIKey=JCRCCLNIWABPIS-UHFFFAOYSA-N
InChI=1S/C17H18F3NO.ClH/c1-21-11-10-16(13-6-3-2-4-7-13)22-15-9-5-8-14(12-15)17(18,19)20;/h2-9,12,16,21H,10-11H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H18F3NO
Molecular Weight 309.3261
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:57 UTC 2023
Edited
by admin
on Sat Dec 16 11:18:57 UTC 2023
Record UNII
JWA0C3II9D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-METHYL-3-PHENYL-3-((ALPHA, ALPHA, ALPHA-TRIFLUORO-M-TOLYL)OXY)PROPYLAMINE HYDROCHLORIDE
Systematic Name English
M-FLUOXETINE [USP IMPURITY]
Common Name English
FLUOXETINE RELATED COMPOUND A [USP-RS]
Common Name English
FLUOXETINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
BENZENEPROPANAMINE, N-METHYL-.GAMMA.-(3-(TRIFLUOROMETHYL)PHENOXY)-, HYDROCHLORIDE (1:1)
Systematic Name English
N-METHYL-3-PHENYL-3-(3-(TRIFLUOROMETHYL)PHENOXY)PROPAN-1-AMINE HYDROCHLORIDE
Systematic Name English
FLUOXETINE RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80724575
Created by admin on Sat Dec 16 11:18:57 UTC 2023 , Edited by admin on Sat Dec 16 11:18:57 UTC 2023
PRIMARY
RS_ITEM_NUM
1279815
Created by admin on Sat Dec 16 11:18:57 UTC 2023 , Edited by admin on Sat Dec 16 11:18:57 UTC 2023
PRIMARY
PUBCHEM
57369875
Created by admin on Sat Dec 16 11:18:57 UTC 2023 , Edited by admin on Sat Dec 16 11:18:57 UTC 2023
PRIMARY
CAS
79088-29-2
Created by admin on Sat Dec 16 11:18:57 UTC 2023 , Edited by admin on Sat Dec 16 11:18:57 UTC 2023
PRIMARY
FDA UNII
JWA0C3II9D
Created by admin on Sat Dec 16 11:18:57 UTC 2023 , Edited by admin on Sat Dec 16 11:18:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP