U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H43N3O6
Molecular Weight 661.7859
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORBINALTORPHIMINE

SMILES

OC1=C2O[C@H]3C4=C(C[C@@]5(O)[C@H]6CC(C=C1)=C2[C@@]35CCN6CC7CC7)C8=C(N4)[C@@H]9OC%10=C(O)C=CC%11=C%10[C@@]9%12CCN(CC%13CC%13)[C@H](C%11)[C@]%12(O)C8

InChI

InChIKey=APSUXPSYBJVPPS-YAUKWVCOSA-N
InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H43N3O6
Molecular Weight 661.7859
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Record UNII
36OOQ86QM1
Record Status Validated (UNII)
Record Version