Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C31H56N2O2 |
Molecular Weight | 488.7885 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Charge | 2 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@@H]([C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)[C@H](C[C@]34C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6
InChI
InChIKey=LPXWONMTBVUBHC-OBIZLECESA-N
InChI=1S/C31H56N2O2/c1-30-14-13-24-23(25(30)20-26(29(30)35)32(3)15-7-5-8-16-32)12-11-22-19-28(34)27(21-31(22,24)2)33(4)17-9-6-10-18-33/h22-29,34-35H,5-21H2,1-4H3/q+2/t22-,23+,24-,25-,26-,27-,28-,29-,30-,31-/m0/s1
Molecular Formula | C31H54N2O2 |
Molecular Weight | 486.7727 |
Charge | 0 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2362997 Sources: https://www.ncbi.nlm.nih.gov/pubmed/574733 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:24:29 GMT 2023
by
admin
on
Fri Dec 15 16:24:29 GMT 2023
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Record UNII |
4713E1J9XJ
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Record Status |
Validated (UNII)
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Record Version |
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203948
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admin on Fri Dec 15 16:24:29 GMT 2023 , Edited by admin on Fri Dec 15 16:24:29 GMT 2023
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IONIC MOIETY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE LESS ACTIVE |
In bile too; Pancuronium is 54 times more potent than this metabolite
PLASMA; URINE
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