Xeruborbactam sodium monohydrate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H8BFO5.2Na.H2O
Molecular Weight	301.972
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Xeruborbactam sodium monohydrate

Structure Search

SMILES

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

InChI

InChIKey=QBNDTXWKSGGYNV-SKSSAGQDSA-M

InChI=1S/C10H9BFO5.2Na.H2O/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);;;1H2/q-1;2*+1;/p-1/t5-,6-;;;/m1.../s1

HIDE SMILES / InChI

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

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	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:40:31 GMT 2025` Edited by `admin` on `Wed Apr 02 19:40:31 GMT 2025`
Record UNII	PDG35MFE38
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Xeruborbactam sodium monohydrate

Common Name

English

QPX-7728 disodium monohydrate

Preferred Name

English

Borate(2-), [3-[(1S,2R)-cyclopropyl-?C2]-6-fluoro-2-(hydroxy-?O)benzoato(3-)]dihydroxy-, sodium, hydrate (1:2:1), (T-4)-

Systematic Name

English

Disodium (1aR,7bS)-4-carboxylato-5-fluoro-2,2-dihydroxy-1,1a,2,7btetrahydrobenzo[ e]cyclopropa[c][1,2]oxaborinin-2-uide, monohydrate

Systematic Name

English

QPX7728 disodium monohydrate

Code

English

Code System Code Type Description

FDA UNII

PDG35MFE38

Created by admin on Wed Apr 02 19:40:31 GMT 2025 , Edited by admin on Wed Apr 02 19:40:31 GMT 2025

PRIMARY

CAS

2627240-20-2

Created by admin on Wed Apr 02 19:40:31 GMT 2025 , Edited by admin on Wed Apr 02 19:40:31 GMT 2025

PRIMARY

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