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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21NO7
Molecular Weight 399.3939
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NARCOTOLINE

SMILES

[H][C@@]1(OC(=O)C2=C1C=CC(OC)=C2OC)[C@]3([H])N(C)CCC4=C3C(O)=C5OCOC5=C4

InChI

InChIKey=LMGZCSKYOKDBES-AEFFLSMTSA-N
InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H21NO7
Molecular Weight 399.3939
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
M5V1K1QE3F
Record Status Validated (UNII)
Record Version