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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H12BrN3O6
Molecular Weight 374.144
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(3-bromoisoxazol-5-yl)-2'-deoxyuridine

SMILES

OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C3=CC(Br)=NO3)C(=O)NC2=O

InChI

InChIKey=YRCHLXHSNHGYIQ-SKWCMTHISA-N
InChI=1S/C12H12BrN3O6/c13-9-2-7(22-15-9)5-3-16(12(20)14-11(5)19)10-1-6(18)8(4-17)21-10/h2-3,6,8,10,17-18H,1,4H2,(H,14,19,20)/t6-,8+,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H12BrN3O6
Molecular Weight 374.144
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:57 GMT 2023
Edited
by admin
on Sat Dec 16 11:00:57 GMT 2023
Record UNII
W3BU7LUF27
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(3-bromoisoxazol-5-yl)-2'-deoxyuridine
Systematic Name English
5-(3-bromo-1,2-oxazol-5-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Systematic Name English
5-(3-BROMO-ISOXAZOL-5-YL)-1-((2R,4S,5R)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1H-PYRIMIDINE-2,4-DIONE
Systematic Name English
Uridine, 5-(3-bromo-5-isoxazolyl)-2′-deoxy-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20927907
Created by admin on Sat Dec 16 11:00:57 GMT 2023 , Edited by admin on Sat Dec 16 11:00:57 GMT 2023
PRIMARY
PUBCHEM
515111
Created by admin on Sat Dec 16 11:00:57 GMT 2023 , Edited by admin on Sat Dec 16 11:00:57 GMT 2023
PRIMARY
CAS
133040-31-0
Created by admin on Sat Dec 16 11:00:57 GMT 2023 , Edited by admin on Sat Dec 16 11:00:57 GMT 2023
PRIMARY
FDA UNII
W3BU7LUF27
Created by admin on Sat Dec 16 11:00:57 GMT 2023 , Edited by admin on Sat Dec 16 11:00:57 GMT 2023
PRIMARY