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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20N4O.C4H4O4
Molecular Weight 364.3963
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BTS-67582

SMILES

OC(=O)\C=C\C(O)=O.CN(C)C(=N)NC1=C(C=CC=C1)N2CCOCC2

InChI

InChIKey=FFEKJBVVAJTQST-WLHGVMLRSA-N
InChI=1S/C13H20N4O.C4H4O4/c1-16(2)13(14)15-11-5-3-4-6-12(11)17-7-9-18-10-8-17;5-3(6)1-2-4(7)8/h3-6H,7-10H2,1-2H3,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C13H20N4O
Molecular Weight 248.3241
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 C4H4O4
Molecular Weight 116.0722
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
C83HW55OVT
Record Status Validated (UNII)
Record Version