Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C30H51N2O3 |
| Molecular Weight | 487.7375 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 1 |
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)N5CCOCC5)[N+]6(CC=C)CCCC6
InChI
InChIKey=IHSGDUHUXOPCHC-GUGJMVMRSA-N
InChI=1S/C30H51N2O3/c1-4-13-32(14-5-6-15-32)26-19-24-22-8-7-21-18-27(33)25(31-11-16-35-17-12-31)20-30(21,3)23(22)9-10-29(24,2)28(26)34/h4,21-28,33-34H,1,5-20H2,2-3H3/q+1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-/m0/s1
| Molecular Formula | C30H50N2O3 |
| Molecular Weight | 486.7296 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:47:57 UTC 2023
by
admin
on
Fri Dec 15 15:47:57 UTC 2023
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| Record UNII |
V79VN3HWQZ
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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182557
Created by
admin on Fri Dec 15 15:47:57 UTC 2023 , Edited by admin on Fri Dec 15 15:47:57 UTC 2023
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PRIMARY | |||
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V79VN3HWQZ
Created by
admin on Fri Dec 15 15:47:57 UTC 2023 , Edited by admin on Fri Dec 15 15:47:57 UTC 2023
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PRIMARY | |||
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738548-78-2
Created by
admin on Fri Dec 15 15:47:57 UTC 2023 , Edited by admin on Fri Dec 15 15:47:57 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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IONIC MOIETY | |||
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SALT/SOLVATE -> PARENT |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
17-desacetyl-rocuronium has been found in negligible amounts
MINOR
URINE
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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