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Details

Stereochemistry RACEMIC
Molecular Formula C9H12BNO4.ClH
Molecular Weight 245.468
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BORONOPHENYLALANINE HYDROCHLORIDE, DL-

SMILES

Cl.NC(CC1=CC=C(C=C1)B(O)O)C(O)=O

InChI

InChIKey=ITAYDCRFNXQNBL-UHFFFAOYSA-N
InChI=1S/C9H12BNO4.ClH/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15;/h1-4,8,14-15H,5,11H2,(H,12,13);1H

HIDE SMILES / InChI

Molecular Formula C9H12BNO4
Molecular Weight 209.007
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 00:28:18 GMT 2023
Edited
by admin
on Sat Dec 16 00:28:18 GMT 2023
Record UNII
57659839UA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BORONOPHENYLALANINE HYDROCHLORIDE, DL-
Common Name English
(±)-BORONOPHENYLALANINE HYDROCHLORIDE
Systematic Name English
PHENYLALANINE, 4-BORONO-, HYDROCHLORIDE
Systematic Name English
BOROFALAN HYDROCHLORIDE, (±)-
Common Name English
Code System Code Type Description
CAS
91196-68-8
Created by admin on Sat Dec 16 00:28:18 GMT 2023 , Edited by admin on Sat Dec 16 00:28:18 GMT 2023
PRIMARY
FDA UNII
57659839UA
Created by admin on Sat Dec 16 00:28:18 GMT 2023 , Edited by admin on Sat Dec 16 00:28:18 GMT 2023
PRIMARY
PUBCHEM
71328046
Created by admin on Sat Dec 16 00:28:18 GMT 2023 , Edited by admin on Sat Dec 16 00:28:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE