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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N4O4
Molecular Weight 358.3917
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3',4'-O-DIDEMETHYL-HYDROGENATED ISTRADEFYLLINE

SMILES

CCN1C2=C(N(C)C(CCC3=CC(O)=C(O)C=C3)=N2)C(=O)N(CC)C1=O

InChI

InChIKey=RFSRMKBTVVVETC-UHFFFAOYSA-N
InChI=1S/C18H22N4O4/c1-4-21-16-15(17(25)22(5-2)18(21)26)20(3)14(19-16)9-7-11-6-8-12(23)13(24)10-11/h6,8,10,23-24H,4-5,7,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H22N4O4
Molecular Weight 358.3917
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
U2HD5M3WR7
Record Status Validated (UNII)
Record Version