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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H15NO2.HNO3
Molecular Weight 280.2765
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SECURININE NITRATE

SMILES

O[N+]([O-])=O.O=C1O[C@@]23C[C@@H](C=CC2=C1)N4CCCC[C@H]34

InChI

InChIKey=GTMBYDCKQUSFCT-CSTPHZADSA-N
InChI=1S/C13H15NO2.HNO3/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11;2-1(3)4/h4-5,7,10-11H,1-3,6,8H2;(H,2,3,4)/t10-,11-,13+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C13H15NO2
Molecular Weight 217.2637
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula HNO3
Molecular Weight 63.0128
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
175YS6368Q
Record Status Validated (UNII)
Record Version