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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23N3O2
Molecular Weight 301.3834
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

CC(C)[C@H]1COC(=N1)C2=CC=CC(=N2)C3=N[C@H](CO3)C(C)C

InChI

InChIKey=CSGQGLBCAHGJDR-HUUCEWRRSA-N
InChI=1S/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3/t14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H23N3O2
Molecular Weight 301.3834
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:59:23 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:23 GMT 2025
Record UNII
C1A0B1BVRW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
I-PR-PYBOX, (S,S)-
Common Name English
(S,S)-I-PR-PYBOX
MI  
Preferred Name English
PYRIDINE, 2,6-BIS((4S)-4,5-DIHYDRO-4-(1-METHYLETHYL)-2-OXAZOLYL)-
Systematic Name English
(S,S)-I-PR-PYBOX [MI]
Common Name English
PYRIDINE BIS(OXAZOLINE) LIGANDS, (S,S)-I-PR-PYBOX-
Common Name English
(S,S)-IPR-PYBOX
Common Name English
2,6-BIS((4S)-4-ISOPROPYL-4,5-DIHYDROOXAZOL-2-YL)PYRIDINE
Systematic Name English
I-PR-PYBOX, (S,S)-(-)-
Common Name English
2,6-BIS((4S)-ISOPROPYL-2-OXAZOLIN-2-YL)PYRIDINE
Systematic Name English
Code System Code Type Description
CAS
215601-37-9
Created by admin on Mon Mar 31 21:59:23 GMT 2025 , Edited by admin on Mon Mar 31 21:59:23 GMT 2025
SUPERSEDED
FDA UNII
C1A0B1BVRW
Created by admin on Mon Mar 31 21:59:23 GMT 2025 , Edited by admin on Mon Mar 31 21:59:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID80350833
Created by admin on Mon Mar 31 21:59:23 GMT 2025 , Edited by admin on Mon Mar 31 21:59:23 GMT 2025
PRIMARY
PUBCHEM
688211
Created by admin on Mon Mar 31 21:59:23 GMT 2025 , Edited by admin on Mon Mar 31 21:59:23 GMT 2025
PRIMARY
CAS
118949-61-4
Created by admin on Mon Mar 31 21:59:23 GMT 2025 , Edited by admin on Mon Mar 31 21:59:23 GMT 2025
PRIMARY
MERCK INDEX
m9353
Created by admin on Mon Mar 31 21:59:23 GMT 2025 , Edited by admin on Mon Mar 31 21:59:23 GMT 2025
PRIMARY Merck Index