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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H19N3O2
Molecular Weight 369.4159
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PH-PYBOX, (S,S)-

SMILES

C1OC(=N[C@H]1C2=CC=CC=C2)C3=CC=CC(=N3)C4=N[C@H](CO4)C5=CC=CC=C5

InChI

InChIKey=HLHBIMJNCKZZQO-NHCUHLMSSA-N
InChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H19N3O2
Molecular Weight 369.4159
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:51:00 GMT 2025
Edited
by admin
on Mon Mar 31 22:51:00 GMT 2025
Record UNII
5R62CXU58K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PH-PYBOX, (S,S)-
Common Name English
(S,S)-PH-PYBOX
MI  
Preferred Name English
2,6-BIS((4S)-4-PHENYL-2-OXAZOLIN-2-YL)PYRIDINE
Systematic Name English
(S,S)-PHENYL-PYBOX
Common Name English
PYRIDINE, 2,6-BIS((4S)-4,5-DIHYDRO-4-PHENYL-2-OXAZOLYL)-
Systematic Name English
(S,S)-PH-PYBOX [MI]
Common Name English
PH-PYBOX, (S,S)-(-)-
Common Name English
2,6-BIS((4S)-4-PHENYL-4,5-DIHYDROOXAZOL-2-YL)PYRIDINE
Systematic Name English
2,6-BIS((S)-4-PHENYL-2-OXAZOLIN-2-YL)PYRIDINE
Systematic Name English
Code System Code Type Description
PUBCHEM
7010100
Created by admin on Mon Mar 31 22:51:00 GMT 2025 , Edited by admin on Mon Mar 31 22:51:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID60426601
Created by admin on Mon Mar 31 22:51:00 GMT 2025 , Edited by admin on Mon Mar 31 22:51:00 GMT 2025
PRIMARY
CAS
174500-20-0
Created by admin on Mon Mar 31 22:51:00 GMT 2025 , Edited by admin on Mon Mar 31 22:51:00 GMT 2025
PRIMARY
MERCK INDEX
m9353
Created by admin on Mon Mar 31 22:51:00 GMT 2025 , Edited by admin on Mon Mar 31 22:51:00 GMT 2025
PRIMARY Merck Index
FDA UNII
5R62CXU58K
Created by admin on Mon Mar 31 22:51:00 GMT 2025 , Edited by admin on Mon Mar 31 22:51:00 GMT 2025
PRIMARY