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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27FN2O2
Molecular Weight 358.4497
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANISOPIROL, (R)-

SMILES

COC1=CC=CC=C1N2CCN(CCC[C@@H](O)C3=CC=C(F)C=C3)CC2

InChI

InChIKey=LCZRXFYSMJIDQQ-HXUWFJFHSA-N
InChI=1S/C21H27FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11,20,25H,4,6,12-16H2,1H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H27FN2O2
Molecular Weight 358.4497
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:04:39 GMT 2023
Edited
by admin
on Sat Dec 16 11:04:39 GMT 2023
Record UNII
02HM92W5K1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANISOPIROL, (R)-
Common Name English
1-PIPERAZINEBUTANOL, .ALPHA.-(4-FLUOROPHENYL)-4-(2-METHOXYPHENYL), (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76956442
Created by admin on Sat Dec 16 11:04:39 GMT 2023 , Edited by admin on Sat Dec 16 11:04:39 GMT 2023
PRIMARY
FDA UNII
02HM92W5K1
Created by admin on Sat Dec 16 11:04:39 GMT 2023 , Edited by admin on Sat Dec 16 11:04:39 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER