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Details

Stereochemistry MIXED
Molecular Formula C21H31NO2
Molecular Weight 329.4763
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FRONEPIDIL

SMILES

CC(C)COCC(COC(C)(C#C)C1=CC=CC=C1)N2CCCC2

InChI

InChIKey=BFXRCMJRKTUNIQ-UHFFFAOYSA-N
InChI=1S/C21H31NO2/c1-5-21(4,19-11-7-6-8-12-19)24-17-20(16-23-15-18(2)3)22-13-9-10-14-22/h1,6-8,11-12,18,20H,9-10,13-17H2,2-4H3

HIDE SMILES / InChI

Molecular Formula C21H31NO2
Molecular Weight 329.4763
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
94JPL25DUK
Record Status Validated (UNII)
Record Version