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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19N3O5
Molecular Weight 381.382
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PA-647

SMILES

[O-][N+](=O)C1=CN2C[C@@H](COC2=N1)OCC3=CC=C(OCC4=CC=CC=C4)C=C3

InChI

InChIKey=UUWGSZMZJOZWCU-SFHVURJKSA-N
InChI=1S/C20H19N3O5/c24-23(25)19-11-22-10-18(14-28-20(22)21-19)27-13-16-6-8-17(9-7-16)26-12-15-4-2-1-3-5-15/h1-9,11,18H,10,12-14H2/t18-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PA-647
Code English
PA647
Preferred Name English
5H-IMIDAZO(2,1-B)(1,3)OXAZINE, 6,7-DIHYDRO-2-NITRO-6-((4-(PHENYLMETHOXY)PHENYL)METHOXY)-, (6S)-
Systematic Name English
(6S)-2-NITRO-6-((4-PHENYLMETHOXYPHENYL)METHOXY)-6,7-DIHYDRO-5H-IMIDAZO(2,1-B)(1,3)OXAZINE
Systematic Name English
Code System Code Type Description
PUBCHEM
465217
Created by admin on Wed Apr 02 08:03:13 GMT 2025 , Edited by admin on Wed Apr 02 08:03:13 GMT 2025
PRIMARY
CAS
187235-28-5
Created by admin on Wed Apr 02 08:03:13 GMT 2025 , Edited by admin on Wed Apr 02 08:03:13 GMT 2025
PRIMARY
FDA UNII
SF1OHL17TZ
Created by admin on Wed Apr 02 08:03:13 GMT 2025 , Edited by admin on Wed Apr 02 08:03:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID80172012
Created by admin on Wed Apr 02 08:03:13 GMT 2025 , Edited by admin on Wed Apr 02 08:03:13 GMT 2025
PRIMARY