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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N2O
Molecular Weight 214.2631
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

O=C1CCN=C2C[C@@H](CN12)C3=CC=CC=C3

InChI

InChIKey=JFKIAPMUYQUVHX-NSHDSACASA-N
InChI=1S/C13H14N2O/c16-13-6-7-14-12-8-11(9-15(12)13)10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H14N2O
Molecular Weight 214.2631
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 11:16:45 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:45 GMT 2023
Record UNII
78E9HID03H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROFELODINE, (R)-
Common Name English
PYRROLO(1,2-A)PYRIMIDIN-4(3H)-ONE, 2,6,7,8-TETRAHYDRO-7-PHENYL-, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
78E9HID03H
Created by admin on Sat Dec 16 11:16:45 GMT 2023 , Edited by admin on Sat Dec 16 11:16:45 GMT 2023
PRIMARY
PUBCHEM
76968550
Created by admin on Sat Dec 16 11:16:45 GMT 2023 , Edited by admin on Sat Dec 16 11:16:45 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER