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Details

Stereochemistry ACHIRAL
Molecular Formula C18H29N3O3
Molecular Weight 335.4412
Optical Activity NONE
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0
Stereo Comments Meso

SHOW SMILES / InChI
Structure of REVOSIMELINE

SMILES

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)N3CCC4(CNC(=O)C4)CC3

InChI

InChIKey=IXAHYSYEIHSUAG-FICVDOATSA-N
InChI=1S/C18H29N3O3/c1-2-24-17(23)21-13-3-4-14(21)10-15(9-13)20-7-5-18(6-8-20)11-16(22)19-12-18/h13-15H,2-12H2,1H3,(H,19,22)/t13-,14+,15+

HIDE SMILES / InChI

Molecular Formula C18H29N3O3
Molecular Weight 335.4412
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9GHO88L89C
Record Status Validated (UNII)
Record Version