U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H8BFO5.2Na
Molecular Weight 283.956
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Stereo Comments Coordination Compound

SHOW SMILES / InChI
Structure of Xeruborbactam Sodium

SMILES

[Na+].[Na+].O[B-]1(O)OC2=C(C=CC(F)=C2C([O-])=O)[C@H]3C[C@@H]13

InChI

InChIKey=RLVWXGRGTAHSCI-BNTLRKBRSA-M
InChI=1S/C10H9BFO5.2Na/c12-7-2-1-4-5-3-6(5)11(15,16)17-9(4)8(7)10(13)14;;/h1-2,5-6,15-16H,3H2,(H,13,14);;/q-1;2*+1/p-1/t5-,6-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H8BFO5
Molecular Weight 237.977
Charge -2
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 Wed Apr 02 09:17:48 GMT 2025
Edited
by admin
on Wed Apr 02 09:17:48 GMT 2025
Record UNII
IFX2A7E8IH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QPX-7728 DISODIUM
Preferred Name English
Xeruborbactam Sodium
USAN  
Official Name English
B Borate(2-), [3-[(1S,2R)-cyclopropyl-?C2]-6-fluoro-2-(hydroxy-?O)benzoato(3-)]dihydroxy-, sodium (1:2), (T-4)-
Systematic Name English
QPX7728 DISODIUM
Code English
XERUBORBACTAM SODIUM [USAN]
Common Name English
Disodium (1aR,7bS)-5-fluoro-2,2-dihydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzooxaborinin-2-uide-4-carboxylate
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C211773
Created by admin on Wed Apr 02 09:17:48 GMT 2025 , Edited by admin on Wed Apr 02 09:17:48 GMT 2025
PRIMARY
CAS
2170848-99-2
Created by admin on Wed Apr 02 09:17:48 GMT 2025 , Edited by admin on Wed Apr 02 09:17:48 GMT 2025
PRIMARY
FDA UNII
IFX2A7E8IH
Created by admin on Wed Apr 02 09:17:48 GMT 2025 , Edited by admin on Wed Apr 02 09:17:48 GMT 2025
PRIMARY
PUBCHEM
162642679
Created by admin on Wed Apr 02 09:17:48 GMT 2025 , Edited by admin on Wed Apr 02 09:17:48 GMT 2025
PRIMARY
USAN
MN-155
Created by admin on Wed Apr 02 09:17:48 GMT 2025 , Edited by admin on Wed Apr 02 09:17:48 GMT 2025
PRIMARY
SMS_ID
300000056941
Created by admin on Wed Apr 02 09:17:48 GMT 2025 , Edited by admin on Wed Apr 02 09:17:48 GMT 2025
PRIMARY
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