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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H27N3O5
Molecular Weight 449.499
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of T-2513

SMILES

CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC5=CC=C(OCCCN)C=C15

InChI

InChIKey=XZLHHOGJQUVONU-VWLOTQADSA-N
InChI=1S/C25H27N3O5/c1-3-15-16-10-14(32-9-5-8-26)6-7-20(16)27-22-17(15)12-28-21(22)11-19-18(23(28)29)13-33-24(30)25(19,31)4-2/h6-7,10-11,31H,3-5,8-9,12-13,26H2,1-2H3/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H27N3O5
Molecular Weight 449.499
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
20Y8Q506KT
Record Status Validated (UNII)
Record Version