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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H39NO4
Molecular Weight 561.7099
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAPITANT

SMILES

[H][C@@]12CN(C[C@]1([H])C(CC[C@@]2(O)C3=C(OC)C=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[C@@H](C)C6=C(OC)C=CC=C6

InChI

InChIKey=CCIWVEMVBWEMCY-RCFOMQFPSA-N
InChI=1S/C37H39NO4/c1-26(29-18-10-12-20-33(29)41-2)35(39)38-24-31-32(25-38)37(40,30-19-11-13-21-34(30)42-3)23-22-36(31,27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-21,26,31-32,40H,22-25H2,1-3H3/t26-,31-,32+,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H39NO4
Molecular Weight 561.7099
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
NRD5XF638P
Record Status Validated (UNII)
Record Version