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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H43N3O6.2ClH
Molecular Weight 734.708
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORBINALTORPHIMINE DIHYDROCHLORIDE

SMILES

Cl.Cl.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=JOJPJLHRMGPDPV-LZQROVCBSA-N
InChI=1S/C40H43N3O6.2ClH/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;2*1H/t27-,28-,35+,36+,37+,38+,39-,40-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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
Y8WNP37PIV
Record Status Validated (UNII)
Record Version