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Details

Stereochemistry ACHIRAL
Molecular Formula C27H31N5O5S
Molecular Weight 537.631
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YM-466 free base

SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC=C4C=CC(=CC4=C3)C(N)=N)S(=O)(=O)CC(O)=O

InChI

InChIKey=NPBKHEMDWREFJJ-UHFFFAOYSA-N
InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34)

HIDE SMILES / InChI

Molecular Formula C27H31N5O5S
Molecular Weight 537.631
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
K9GJ38KJ9F
Record Status Validated (UNII)
Record Version