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Details

Stereochemistry RACEMIC
Molecular Formula C15H19N3O4
Molecular Weight 305.3291
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABUNIDAZOLE

SMILES

CN1C(=CN=C1C(O)C2=C(O)C=CC(=C2)C(C)(C)C)[N+]([O-])=O

InChI

InChIKey=DBOZSKOENGSGEJ-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula C15H19N3O4
Molecular Weight 305.3291
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:33:01 GMT 2023
Edited
by admin
on Fri Dec 15 16:33:01 GMT 2023
Record UNII
6EH821150I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABUNIDAZOLE
INN  
INN  
Official Name English
.ALPHA.-(5-TERT-BUTYL-2-HYDROXYPHENYL)-1-METHYL-5-NITROIMIDAZOLE-2-METHANOL
Systematic Name English
abunidazole [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C277
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL301926
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID60869074
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
PUBCHEM
170365
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
FDA UNII
6EH821150I
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
WIKIPEDIA
ABUNIDAZOLE
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
SMS_ID
100000082345
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
INN
5666
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
EVMPD
SUB07364MIG
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
CAS
91017-58-2
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
NCI_THESAURUS
C73009
Created by admin on Fri Dec 15 16:33:01 GMT 2023 , Edited by admin on Fri Dec 15 16:33:01 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
RACEMATE -> ENANTIOMER
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ACTIVE MOIETY