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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26N2O
Molecular Weight 310.4332
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBOGAINE

SMILES

[H][C@@]12C[C@H]3C[C@H](CC)[C@]1([H])[N@](C3)CCC4=C2NC5=C4C=C(OC)C=C5

InChI

InChIKey=HSIBGVUMFOSJPD-CFDPKNGZSA-N
InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H26N2O
Molecular Weight 310.4332
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
2.0 µM [Ki]
130.0 nM [Ki]
1.0 µM [Ki]
9.0 µM [Ki]
0.09 µM [Ki]
2.0 µM [Ki]
0.5 µM [Ki]
0.95 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
3S814I130U
Record Status Validated (UNII)
Record Version