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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H10F3NO2.H3O4P
Molecular Weight 331.1823
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-amino-4-(2,4,5-trifluorophenyl)butanoic acid;phosphoric acid, (3R)-

SMILES

OP(O)(O)=O.N[C@@H](CC(O)=O)CC1=CC(F)=C(F)C=C1F

InChI

InChIKey=FRPDBOAYPIDTCG-FYZOBXCZSA-N
InChI=1S/C10H10F3NO2.H3O4P/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16;1-5(2,3)4/h2,4,6H,1,3,14H2,(H,15,16);(H3,1,2,3,4)/t6-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C10H10F3NO2
Molecular Weight 233.1871
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H3O4P
Molecular Weight 97.9952
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 20:39:35 GMT 2025
Edited
by admin
on Wed Apr 02 20:39:35 GMT 2025
Record UNII
NZV59JC9VU
Record Status Validated (UNII)
Record Version
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Name Type Language
3-amino-4-(2,4,5-trifluorophenyl)butanoic acid;phosphoric acid, (3R)-
Systematic Name English
(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid;phosphoric acid
Preferred Name English
Benzenebutanoic acid, ?-amino-2,4,5-trifluoro-, (?R)-, phosphate (1:1)
Systematic Name English
Code System Code Type Description
CAS
1123500-05-9
Created by admin on Wed Apr 02 20:39:35 GMT 2025 , Edited by admin on Wed Apr 02 20:39:35 GMT 2025
PRIMARY
FDA UNII
NZV59JC9VU
Created by admin on Wed Apr 02 20:39:35 GMT 2025 , Edited by admin on Wed Apr 02 20:39:35 GMT 2025
PRIMARY
PUBCHEM
170903035
Created by admin on Wed Apr 02 20:39:35 GMT 2025 , Edited by admin on Wed Apr 02 20:39:35 GMT 2025
PRIMARY
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