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Details

Stereochemistry ACHIRAL
Molecular Formula C32H39N7O4
Molecular Weight 585.6966
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOBOCERTINIB

SMILES

COC1=C(NC2=NC=C(C(=O)OC(C)C)C(=N2)C3=CN(C)C4=C3C=CC=C4)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C

InChI

InChIKey=AZSRSNUQCUDCGG-UHFFFAOYSA-N
InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)

HIDE SMILES / InChI

Molecular Formula C32H39N7O4
Molecular Weight 585.6966
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
39HBQ4A67L
Record Status Validated (UNII)
Record Version