WR-122455

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H19F6NO.ClH
Molecular Weight	463.844
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.O[C@H]([C@H]1CCCCN1)C2=CC3=C(C=C(C=C3)C(F)(F)F)C4=CC(=CC=C24)C(F)(F)F

InChI

InChIKey=HKAMJBJQZVUJFZ-FDOHDBATSA-N

InChI=1S/C22H19F6NO.ClH/c23-21(24,25)13-5-4-12-9-18(20(30)19-3-1-2-8-29-19)15-7-6-14(22(26,27)28)11-17(15)16(12)10-13;/h4-7,9-11,19-20,29-30H,1-3,8H2;1H/t19-,20+;/m1./s1

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	C22H19F6NO
Molecular Weight	427.3828
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 `Mon Mar 31 17:47:47 GMT 2025` Edited by `admin` on `Mon Mar 31 17:47:47 GMT 2025`
Record UNII	V02QBL7JKT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WR-122455

Common Name

English

WR 122455

Preferred Name

English

.ALPHA.-(3,6-BIS(TRIFLUOROMETHYL)-9-PHENANTHRENYL)-2-PIPERIDINEMETHANOL HYDROCHLORIDE

Systematic Name

English

ALPHA (2-PIPERIDYL)-3,6-BIS(TRIFLUOROMETHYL)-9-PHENANTHRENEMETHANOL HYDROCHLORIDE

Systematic Name

English

WR-122,455

Code

English

Code System Code Type Description

MESH

C012496