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Details

Stereochemistry ACHIRAL
Molecular Formula C5H4N2O4.C4H11NO
Molecular Weight 245.2325
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEANOL OROTATE

SMILES

CN(C)CCO.OC(=O)C1=CC(=O)NC(=O)N1

InChI

InChIKey=ROHGCLWGNSVXHD-UHFFFAOYSA-N
InChI=1S/C5H4N2O4.C4H11NO/c8-3-1-2(4(9)10)6-5(11)7-3;1-5(2)3-4-6/h1H,(H,9,10)(H2,6,7,8,11);6H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C4H11NO
Molecular Weight 89.1362
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 C5H4N2O4
Molecular Weight 156.0963
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
011841169V
Record Status Validated (UNII)
Record Version