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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N3OS
Molecular Weight 265.374
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROCASTINE, (S)-

SMILES

CN(C)CC[C@H]1CN(C)C(=S)C2=CC=CN=C2O1

InChI

InChIKey=DPPDPATYPQFYDL-JTQLQIEISA-N
InChI=1S/C13H19N3OS/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H19N3OS
Molecular Weight 265.374
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 Mon Mar 31 23:21:20 GMT 2025
Edited
by admin
on Mon Mar 31 23:21:20 GMT 2025
Record UNII
205AJH1K35
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROCASTINE, (S)-
Common Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, (S)-
Preferred Name English
Code System Code Type Description
CAS
104712-65-4
Created by admin on Mon Mar 31 23:21:20 GMT 2025 , Edited by admin on Mon Mar 31 23:21:20 GMT 2025
PRIMARY
FDA UNII
205AJH1K35
Created by admin on Mon Mar 31 23:21:20 GMT 2025 , Edited by admin on Mon Mar 31 23:21:20 GMT 2025
PRIMARY
PUBCHEM
13726483
Created by admin on Mon Mar 31 23:21:20 GMT 2025 , Edited by admin on Mon Mar 31 23:21:20 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER