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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17N3O.C12H16N2O3
Molecular Weight 467.5606
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMINOPHENAZONE CYCLOBARBITAL

SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2.CN(C)C3=C(C)N(C)N(C3=O)C4=CC=CC=C4

InChI

InChIKey=XAOHHLFXCMVGAW-UHFFFAOYSA-N
InChI=1S/C13H17N3O.C12H16N2O3/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h5-9H,1-4H3;6H,2-5,7H2,1H3,(H2,13,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C12H16N2O3
Molecular Weight 236.267
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 C13H17N3O
Molecular Weight 231.2936
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
21IO09S92L
Record Status Validated (UNII)
Record Version