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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27NO3
Molecular Weight 329.4333
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESETHYLOXYBUTYNIN, (R)-

SMILES

CCNCC#CCOC(=O)[C@@](O)(C1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=SNIBJKHIKIIGPR-FQEVSTJZSA-N
InChI=1S/C20H27NO3/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H27NO3
Molecular Weight 329.4333
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
8L53907KHI
Record Status Validated (UNII)
Record Version