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Details

Stereochemistry RACEMIC
Molecular Formula C11H12N2O.C5H10O3
Molecular Weight 306.3569
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTIPYRINE METHYLETHYLGLYCOLATE

SMILES

CCC(C)(O)C(O)=O.CN1N(C(=O)C=C1C)C2=CC=CC=C2

InChI

InChIKey=JPCANAZEIJJTMN-UHFFFAOYSA-N
InChI=1S/C11H12N2O.C5H10O3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-3-5(2,8)4(6)7/h3-8H,1-2H3;8H,3H2,1-2H3,(H,6,7)

HIDE SMILES / InChI

Molecular Formula C5H10O3
Molecular Weight 118.1311
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:30:20 GMT 2023
Edited
by admin
on Sat Dec 16 08:30:20 GMT 2023
Record UNII
39491RR3U5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTIPYRINE METHYLETHYLGLYCOLATE
MI  
Common Name English
ANTIPYRIN 2-HYDROXY-2-METHYLBUTYRATE
Common Name English
2-HYDROXY-2-METHYL-BUTANOIC ACID
Systematic Name English
ASTROLIN
Brand Name English
BUTANOIC ACID, 2-HYDROXY-2-METHYL-, COMPD. WITH 1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE (1:1)
Systematic Name English
ANTIPYRINE METHYLETHYLGLYCOLATE, (±)-
Brand Name English
ANTIPYRINE METHYLETHYLGLYCOLATE [MI]
Common Name English
ANTIPYRINE 2-HYDROXY-2-METHYLBUTYRATE
Common Name English
Code System Code Type Description
FDA UNII
39491RR3U5
Created by admin on Sat Dec 16 08:30:20 GMT 2023 , Edited by admin on Sat Dec 16 08:30:20 GMT 2023
PRIMARY
MERCK INDEX
m1973
Created by admin on Sat Dec 16 08:30:20 GMT 2023 , Edited by admin on Sat Dec 16 08:30:20 GMT 2023
PRIMARY Merck Index
CAS
5794-16-1
Created by admin on Sat Dec 16 08:30:20 GMT 2023 , Edited by admin on Sat Dec 16 08:30:20 GMT 2023
PRIMARY
PUBCHEM
72710646
Created by admin on Sat Dec 16 08:30:20 GMT 2023 , Edited by admin on Sat Dec 16 08:30:20 GMT 2023
PRIMARY