3,3'-(METHYLENEBIS(1,3-BENZODIOXOLE-6,5-DIYLOXYMETHYLENE))BIS((3S,4R)-4-(4-FLUOROPHENYL)PIPERIDINE), REL-

Details

Stereochemistry	RACEMIC
Molecular Formula	C39H40F2N2O6
Molecular Weight	670.7415
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,3'-(METHYLENEBIS(1,3-BENZODIOXOLE-6,5-DIYLOXYMETHYLENE))BIS((3S,4R)-4-(4-FLUOROPHENYL)PIPERIDINE), REL-

Structure Search

SMILES

FC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=C(CC4=C(OC[C@@H]5CNCC[C@H]5C6=CC=C(F)C=C6)C=C7OCOC7=C4)C=C8OCOC8=C3

InChI

InChIKey=VKTXNNYQYBNOJB-IKFSTVPESA-N

InChI=1S/C39H40F2N2O6/c40-30-5-1-24(2-6-30)32-9-11-42-18-28(32)20-44-34-16-38-36(46-22-48-38)14-26(34)13-27-15-37-39(49-23-47-37)17-35(27)45-21-29-19-43-12-10-33(29)25-3-7-31(41)8-4-25/h1-8,14-17,28-29,32-33,42-43H,9-13,18-23H2/t28-,29-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H40F2N2O6
Molecular Weight	670.7415
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:10:17 GMT 2025` Edited by `admin` on `Wed Apr 02 13:10:17 GMT 2025`
Record UNII	MSP6U6AM27
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIS(6-(((3S,4R)-4-(4-FLUOROPHENYL)PIPERIDIN-3-YL)METHOXY)BENZO(D)(1,3)DIOXOL-5-YL)METHANE, REL-

Preferred Name

English

3,3'-(METHYLENEBIS(1,3-BENZODIOXOLE-6,5-DIYLOXYMETHYLENE))BIS((3S,4R)-4-(4-FLUOROPHENYL)PIPERIDINE), REL-

Systematic Name

English

Code System Code Type Description

FDA UNII

MSP6U6AM27

Created by admin on Wed Apr 02 13:10:17 GMT 2025 , Edited by admin on Wed Apr 02 13:10:17 GMT 2025

PRIMARY

CAS

1292846-10-6

Created by admin on Wed Apr 02 13:10:17 GMT 2025 , Edited by admin on Wed Apr 02 13:10:17 GMT 2025

PRIMARY

Related Record Type Details


					3CR6Y63SR2

3,3'-(METHYLENEBIS(1,3-BENZODIOXOLE-6,5-DIYLOXYMETHYLENE))BIS((3S,4R)-4-(4-FLUOROPHENYL)PIPERIDINE)

RACEMATE -> ENANTIOMER

Amount: