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Details

Stereochemistry RACEMIC
Molecular Formula C7H7NO2.C4H6N4O3
Molecular Weight 295.2514
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLANTOIN PABA

SMILES

NC1=CC=C(C=C1)C(O)=O.NC(=O)NC2NC(=O)NC2=O

InChI

InChIKey=QWVSDCVMXDUGML-UHFFFAOYSA-N
InChI=1S/C7H7NO2.C4H6N4O3/c8-6-3-1-5(2-4-6)7(9)10;5-3(10)6-1-2(9)8-4(11)7-1/h1-4H,8H2,(H,9,10);1H,(H3,5,6,10)(H2,7,8,9,11)

HIDE SMILES / InChI

Molecular Formula C7H7NO2
Molecular Weight 137.136
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H6N4O3
Molecular Weight 158.1154
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
7NAA1SZ9N2
Record Status Validated (UNII)
Record Version