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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19N3O4
Molecular Weight 305.3291
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CN1C(=CN=C1[C@@H](O)C2=C(O)C=CC(=C2)C(C)(C)C)[N+]([O-])=O

InChI

InChIKey=DBOZSKOENGSGEJ-ZDUSSCGKSA-N
InChI=1S/C15H19N3O4/c1-15(2,3)9-5-6-11(19)10(7-9)13(20)14-16-8-12(17(14)4)18(21)22/h5-8,13,19-20H,1-4H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H19N3O4
Molecular Weight 305.3291
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 Sat Dec 16 09:07:07 GMT 2023
Edited
by admin
on Sat Dec 16 09:07:07 GMT 2023
Record UNII
5C3XE91L6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABUNIDAZOLE, (S)-
Common Name English
1H-IMIDAZOLE-2-METHANOL, .ALPHA.-(5-(1,1-DIMETHYLETHYL)-2-HYDROXYPHENYL)-1-METHYL-5-NITRO-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76967968
Created by admin on Sat Dec 16 09:07:08 GMT 2023 , Edited by admin on Sat Dec 16 09:07:08 GMT 2023
PRIMARY
FDA UNII
5C3XE91L6W
Created by admin on Sat Dec 16 09:07:08 GMT 2023 , Edited by admin on Sat Dec 16 09:07:08 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE