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Details

Stereochemistry RACEMIC
Molecular Formula C11H12N2O.C8H8O3
Molecular Weight 340.3731
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTIPYRINE MANDELATE

SMILES

OC(C(O)=O)C1=CC=CC=C1.CN2N(C(=O)C=C2C)C3=CC=CC=C3

InChI

InChIKey=ICBPURKUPVLVCM-UHFFFAOYSA-N
InChI=1S/C11H12N2O.C8H8O3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;9-7(8(10)11)6-4-2-1-3-5-6/h3-8H,1-2H3;1-5,7,9H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C11H12N2O
Molecular Weight 188.2258
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H8O3
Molecular Weight 152.1473
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:29:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:31 GMT 2023
Record UNII
755160V3M8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTIPYRINE MANDELATE
MI  
Common Name English
TUSSOL
Brand Name English
ANTIPYRINE, MANDELATE (1:1)
Common Name English
ANTIPYRINE MANDELATE, (±)-
Common Name English
ANTIPYRINE MANDELATE [MI]
Common Name English
ANTIPYRINE AMYGDALATE
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-, COMPD. WITH 1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE (1:1)
Systematic Name English
TUSSEL
Brand Name English
ANTIPYRIN MANDELATE
Common Name English
Code System Code Type Description
FDA UNII
755160V3M8
Created by admin on Sat Dec 16 08:29:31 GMT 2023 , Edited by admin on Sat Dec 16 08:29:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID00975709
Created by admin on Sat Dec 16 08:29:31 GMT 2023 , Edited by admin on Sat Dec 16 08:29:31 GMT 2023
PRIMARY
MERCK INDEX
m1973
Created by admin on Sat Dec 16 08:29:31 GMT 2023 , Edited by admin on Sat Dec 16 08:29:31 GMT 2023
PRIMARY Merck Index
CAS
603-64-5
Created by admin on Sat Dec 16 08:29:31 GMT 2023 , Edited by admin on Sat Dec 16 08:29:31 GMT 2023
PRIMARY
PUBCHEM
20056735
Created by admin on Sat Dec 16 08:29:31 GMT 2023 , Edited by admin on Sat Dec 16 08:29:31 GMT 2023
PRIMARY