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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H40F2N2O6
Molecular Weight 670.7415
Optical Activity UNSPECIFIED
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)

SMILES

FC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=CC4=C(OCO4)C=C3CC5=CC6=C(OCO6)C=C5OC[C@@H]7CNCC[C@H]7C8=CC=C(F)C=C8

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 Sat Dec 16 18:22:53 GMT 2023
Edited
by admin
on Sat Dec 16 18:22:53 GMT 2023
Record UNII
3CR6Y63SR2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3'-(METHYLENEBIS(1,3-BENZODIOXOLE-6,5-DIYLOXYMETHYLENE))BIS((3S,4R)-4-(4-FLUOROPHENYL)PIPERIDINE)
Systematic Name English
PIPERIDINE, 3,3'-(METHYLENEBIS(1,3-BENZODIOXOLE-6,5-DIYLOXYMETHYLENE))BIS(4-(4-FLUOROPHENYL)-, (3S,3'S,4R,4'R)-
Systematic Name English
Code System Code Type Description
FDA UNII
3CR6Y63SR2
Created by admin on Sat Dec 16 18:22:53 GMT 2023 , Edited by admin on Sat Dec 16 18:22:53 GMT 2023
PRIMARY
CAS
2105932-71-4
Created by admin on Sat Dec 16 18:22:53 GMT 2023 , Edited by admin on Sat Dec 16 18:22:53 GMT 2023
PRIMARY
PUBCHEM
95710452
Created by admin on Sat Dec 16 18:22:53 GMT 2023 , Edited by admin on Sat Dec 16 18:22:53 GMT 2023
PRIMARY
Related Record Type Details
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