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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20FNO3
Molecular Weight 317.3547
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(((3S,4R)-4-(4-FLUOROPHENYL)-3-PIPERIDINYL)METHOXY)-1,2-BENZENEDIOL

SMILES

OC1=CC=C(OC[C@@H]2CNCC[C@H]2C3=CC=C(F)C=C3)C=C1O

InChI

InChIKey=VJMXXTJAPJRAQL-BBRMVZONSA-N
InChI=1S/C18H20FNO3/c19-14-3-1-12(2-4-14)16-7-8-20-10-13(16)11-23-15-5-6-17(21)18(22)9-15/h1-6,9,13,16,20-22H,7-8,10-11H2/t13-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H20FNO3
Molecular Weight 317.3547
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 Sat Dec 16 05:00:35 UTC 2023
Edited
by admin
on Sat Dec 16 05:00:35 UTC 2023
Record UNII
C9948KW92X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(((3S,4R)-4-(4-FLUOROPHENYL)-3-PIPERIDINYL)METHOXY)-1,2-BENZENEDIOL
Systematic Name English
BRL-36610
Code English
1,2-BENZENEDIOL, 4-(((3S,4R)-4-(4-FLUOROPHENYL)-3-PIPERIDINYL)METHOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
C9948KW92X
Created by admin on Sat Dec 16 05:00:35 UTC 2023 , Edited by admin on Sat Dec 16 05:00:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID30747552
Created by admin on Sat Dec 16 05:00:35 UTC 2023 , Edited by admin on Sat Dec 16 05:00:35 UTC 2023
PRIMARY
CAS
159126-30-4
Created by admin on Sat Dec 16 05:00:35 UTC 2023 , Edited by admin on Sat Dec 16 05:00:35 UTC 2023
PRIMARY
PUBCHEM
59215182
Created by admin on Sat Dec 16 05:00:35 UTC 2023 , Edited by admin on Sat Dec 16 05:00:35 UTC 2023
PRIMARY
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