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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14BNO5
Molecular Weight 251.044
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(((3S)-3-(AMINOMETHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)PROPANOIC ACID

SMILES

NC[C@H]1OB(O)C2=C(OCCC(O)=O)C=CC=C12

InChI

InChIKey=XEQBYTQNGXUXPA-SECBINFHSA-N
InChI=1S/C11H14BNO5/c13-6-9-7-2-1-3-8(11(7)12(16)18-9)17-5-4-10(14)15/h1-3,9,16H,4-6,13H2,(H,14,15)/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H14BNO5
Molecular Weight 251.044
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 Wed Apr 02 07:12:19 GMT 2025
Edited
by admin
on Wed Apr 02 07:12:19 GMT 2025
Record UNII
JTG6O9MDD7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK2251052 METABOLITE M3
Preferred Name English
3-(((3S)-3-(AMINOMETHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)PROPANOIC ACID
Systematic Name English
PROPANOIC ACID, 3-(((3S)-3-(AMINOMETHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
JTG6O9MDD7
Created by admin on Wed Apr 02 07:12:19 GMT 2025 , Edited by admin on Wed Apr 02 07:12:19 GMT 2025
PRIMARY
PUBCHEM
118753286
Created by admin on Wed Apr 02 07:12:19 GMT 2025 , Edited by admin on Wed Apr 02 07:12:19 GMT 2025
PRIMARY
CAS
1554769-84-4
Created by admin on Wed Apr 02 07:12:19 GMT 2025 , Edited by admin on Wed Apr 02 07:12:19 GMT 2025
PRIMARY
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