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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12N2O.C9H8O5
Molecular Weight 384.3826
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTIPYRINE SALICYLACETATE

SMILES

CN1N(C(=O)C=C1C)C2=CC=CC=C2.OC(=O)COC3=C(C=CC=C3)C(O)=O

InChI

InChIKey=IISLCHVAWDTZPZ-UHFFFAOYSA-N
InChI=1S/C11H12N2O.C9H8O5/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h3-8H,1-2H3;1-4H,5H2,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C11H12N2O
Molecular Weight 188.2258
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 C9H8O5
Molecular Weight 196.1568
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

Approval Year

Substance Class Chemical
Record UNII
A5432RBN9M
Record Status Validated (UNII)
Record Version