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Details

Stereochemistry RACEMIC
Molecular Formula C16H17ClN2O
Molecular Weight 288.772
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRISOXAZOLE, TRANS-

SMILES

CN1O[C@H](C[C@]1(C)C2=CN=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=DHTJFQWHCVTNRY-HZPDHXFCSA-N
InChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3/t15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H17ClN2O
Molecular Weight 288.772
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 Sat Dec 16 10:09:31 GMT 2023
Edited
by admin
on Sat Dec 16 10:09:31 GMT 2023
Record UNII
63S12P0W7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRISOXAZOLE, TRANS-
Common Name English
PYRIDINE, 3-((3R,5R)-5-(4-CHLOROPHENYL)-2,3-DIMETHYL-3-ISOXAZOLIDINYL)-, REL-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID801150379
Created by admin on Sat Dec 16 10:09:31 GMT 2023 , Edited by admin on Sat Dec 16 10:09:31 GMT 2023
PRIMARY
CAS
291771-99-8
Created by admin on Sat Dec 16 10:09:31 GMT 2023 , Edited by admin on Sat Dec 16 10:09:31 GMT 2023
PRIMARY
FDA UNII
63S12P0W7W
Created by admin on Sat Dec 16 10:09:31 GMT 2023 , Edited by admin on Sat Dec 16 10:09:31 GMT 2023
PRIMARY
PUBCHEM
86278300
Created by admin on Sat Dec 16 10:09:31 GMT 2023 , Edited by admin on Sat Dec 16 10:09:31 GMT 2023
PRIMARY