BRL-16644

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H26F3NO2.ClH
Molecular Weight	429.903
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN(C)CCOC1=CC2=C(C=C1)C(CC(C)(C)O2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChIKey=BXRCZHAPEXTREH-UHFFFAOYSA-N

InChI=1S/C22H26F3NO2.ClH/c1-21(2)14-19(15-6-5-7-16(12-15)22(23,24)25)18-9-8-17(13-20(18)28-21)27-11-10-26(3)4;/h5-9,12-13,19H,10-11,14H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula	C22H26F3NO2
Molecular Weight	393.4425
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:30:29 GMT 2023` Edited by `admin` on `Sat Dec 16 08:30:29 GMT 2023`
Record UNII	WN32ZJ5EOD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRL-16644

Common Name

English

ETHANAMINE, 2-((3,4-DIHYDRO-2,2-DIMETHYL-4-(3-(TRIFLUOROMETHYL)PHENYL)-2H-1-BENZOPYRAN-7-YL)OXY)-N,N-DIMETHYL-, HYDROCHLORIDE (1:1)

Systematic Name

English

BRL-16644, (±)-

Code

English

BRL 16644

Code

English

Code System Code Type Description

EPA CompTox

DTXSID7043900

Created by admin on Sat Dec 16 08:30:29 GMT 2023 , Edited by admin on Sat Dec 16 08:30:29 GMT 2023

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CAS

59257-18-0

Created by admin on Sat Dec 16 08:30:29 GMT 2023 , Edited by admin on Sat Dec 16 08:30:29 GMT 2023

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FDA UNII

WN32ZJ5EOD

Created by admin on Sat Dec 16 08:30:29 GMT 2023 , Edited by admin on Sat Dec 16 08:30:29 GMT 2023

PRIMARY

PUBCHEM

42987

Created by admin on Sat Dec 16 08:30:29 GMT 2023 , Edited by admin on Sat Dec 16 08:30:29 GMT 2023

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Related Record Type Details


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