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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14O3S
Molecular Weight 274.335
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MODAFINIL ACID, (+)-

SMILES

OC(=O)C[S@+]([O-])C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=QARQPIWTMBRJFX-IBGZPJMESA-N
InChI=1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H14O3S
Molecular Weight 274.335
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:49:55 GMT 2023
Edited
by admin
on Sat Dec 16 10:49:55 GMT 2023
Record UNII
461846KJWS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MODAFINIL ACID, (+)-
Common Name English
ACETIC ACID, 2-((S)-(DIPHENYLMETHYL)SULFINYL)-
Systematic Name English
(S)-(+)-MODAFINIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
11623216
Created by admin on Sat Dec 16 10:49:55 GMT 2023 , Edited by admin on Sat Dec 16 10:49:55 GMT 2023
PRIMARY
CAS
112111-44-1
Created by admin on Sat Dec 16 10:49:55 GMT 2023 , Edited by admin on Sat Dec 16 10:49:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID70469625
Created by admin on Sat Dec 16 10:49:55 GMT 2023 , Edited by admin on Sat Dec 16 10:49:55 GMT 2023
PRIMARY
FDA UNII
461846KJWS
Created by admin on Sat Dec 16 10:49:55 GMT 2023 , Edited by admin on Sat Dec 16 10:49:55 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER