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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12N2O.C8H10N4O2.C6H8O7
Molecular Weight 574.5399
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIGRENIN

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CN3N(C(=O)C=C3C)C4=CC=CC=C4

InChI

InChIKey=XCRAFTGAMMSJLO-UHFFFAOYSA-N
InChI=1S/C11H12N2O.C8H10N4O2.C6H8O7/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8H,1-2H3;4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H10N4O2
Molecular Weight 194.1906
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Tue Apr 01 20:40:43 GMT 2025
Edited
by admin
on Tue Apr 01 20:40:43 GMT 2025
Record UNII
3Z4LOI7NPG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, MIXT. WITH 1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE AND 3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Preferred Name English
MIGRENIN
Common Name English
ANTIPYRINE : ANHYDROUS CAFFEINE : ANHYDROUS CITRIC ACID = 90:9:1
Common Name English
MIGRENIN [JAN]
Common Name English
PHENAZONE AND CAFFEINE CITRATE [MART.]
Common Name English
PHENAZONE AND CAFFEINE CITRATE IS A POWDER USUALLY CONTAINING PHENAZONE 90%, CAFFEINE 9%, AND CITRIC ACID MONOHYDRATE 1%
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Tue Apr 01 20:40:43 GMT 2025 , Edited by admin on Tue Apr 01 20:40:43 GMT 2025
Code System Code Type Description
CAS
8066-49-7
Created by admin on Tue Apr 01 20:40:43 GMT 2025 , Edited by admin on Tue Apr 01 20:40:43 GMT 2025
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NCI_THESAURUS
C90904
Created by admin on Tue Apr 01 20:40:43 GMT 2025 , Edited by admin on Tue Apr 01 20:40:43 GMT 2025
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FDA UNII
3Z4LOI7NPG
Created by admin on Tue Apr 01 20:40:43 GMT 2025 , Edited by admin on Tue Apr 01 20:40:43 GMT 2025
PRIMARY
SMS_ID
100000175834
Created by admin on Tue Apr 01 20:40:43 GMT 2025 , Edited by admin on Tue Apr 01 20:40:43 GMT 2025
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PUBCHEM
444035
Created by admin on Tue Apr 01 20:40:43 GMT 2025 , Edited by admin on Tue Apr 01 20:40:43 GMT 2025
PRIMARY