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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14BNO5
Molecular Weight 263.054
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ledaborbactam

SMILES

CCC(=O)N[C@H]1CC2=CC=CC(C(O)=O)=C2OB1O

InChI

InChIKey=QAGGLFCWUVSERJ-VIFPVBQESA-N
InChI=1S/C12H14BNO5/c1-2-10(15)14-9-6-7-4-3-5-8(12(16)17)11(7)19-13(9)18/h3-5,9,18H,2,6H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H14BNO5
Molecular Weight 263.054
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 14:39:07 GMT 2023
Edited
by admin
on Sat Dec 16 14:39:07 GMT 2023
Record UNII
G2WGD69BLI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ledaborbactam
INN   USAN  
Official Name English
2H-1,2-Benzoxaborin-8-carboxylic acid, 3,4-dihydro-2-hydroxy-3-[(1-oxopropyl)amino]-, (3R)-
Systematic Name English
ledaborbactam [INN]
Common Name English
VNRX-7145 ACTIVE METABOLITE
Code English
VNRX-7145 ACID
Code English
VNRX-5236
Code English
(3R)-2-hydroxy-3-(propanamido)-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
Systematic Name English
LEDABORBACTAM [USAN]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C184846
Created by admin on Sat Dec 16 14:39:07 GMT 2023 , Edited by admin on Sat Dec 16 14:39:07 GMT 2023
PRIMARY
CAS
1842397-36-7
Created by admin on Sat Dec 16 14:39:07 GMT 2023 , Edited by admin on Sat Dec 16 14:39:07 GMT 2023
PRIMARY
INN
11708
Created by admin on Sat Dec 16 14:39:07 GMT 2023 , Edited by admin on Sat Dec 16 14:39:07 GMT 2023
PRIMARY
USAN
KL-195
Created by admin on Sat Dec 16 14:39:07 GMT 2023 , Edited by admin on Sat Dec 16 14:39:07 GMT 2023
PRIMARY
SMS_ID
300000039039
Created by admin on Sat Dec 16 14:39:07 GMT 2023 , Edited by admin on Sat Dec 16 14:39:07 GMT 2023
PRIMARY
FDA UNII
G2WGD69BLI
Created by admin on Sat Dec 16 14:39:07 GMT 2023 , Edited by admin on Sat Dec 16 14:39:07 GMT 2023
PRIMARY
PUBCHEM
138455079
Created by admin on Sat Dec 16 14:39:07 GMT 2023 , Edited by admin on Sat Dec 16 14:39:07 GMT 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE