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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23NO3.CHNS
Molecular Weight 360.47
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROCODEINE THIOCYANATE

SMILES

SC#N.[H][C@@]12OC3=C4C(C[C@H]5N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)=CC=C3OC

InChI

InChIKey=HVXYRJWFMXAVJG-FFHNEAJVSA-N
InChI=1S/C18H23NO3.CHNS/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;2-1-3/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;3H/t11-,12+,13-,17-,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C18H23NO3
Molecular Weight 301.3801
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CHNS
Molecular Weight 59.09
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
442C0H2H3P
Record Status Validated (UNII)
Record Version