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Details

Stereochemistry RACEMIC
Molecular Formula C13H14N2O
Molecular Weight 214.2631
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROFELODINE

SMILES

O=C1CCN=C2CC(CN12)C3=CC=CC=C3

InChI

InChIKey=JFKIAPMUYQUVHX-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula C13H14N2O
Molecular Weight 214.2631
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:33:08 GMT 2023
Edited
by admin
on Fri Dec 15 16:33:08 GMT 2023
Record UNII
146D7G2I94
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROFELODINE
INN  
INN  
Official Name English
PYRROLO(1,2-A)PYRIMIDIN-4(3H)-ONE, 2,6,7,8-TETRAHYDRO-7-PHENYL-
Systematic Name English
rofelodine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
Code System Code Type Description
FDA UNII
146D7G2I94
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
PRIMARY
CAS
76696-97-4
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID50868410
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
PRIMARY
NCI_THESAURUS
C75176
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105387
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
PRIMARY
EVMPD
SUB10356MIG
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
PRIMARY
PUBCHEM
71152
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
PRIMARY
INN
5208
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
PRIMARY
SMS_ID
100000080251
Created by admin on Fri Dec 15 16:33:08 GMT 2023 , Edited by admin on Fri Dec 15 16:33:08 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY