Details
Stereochemistry | EPIMERIC |
Molecular Formula | C18H26NO3.NO3 |
Molecular Weight | 366.4088 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[O-][N+]([O-])=O.C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChIKey=NEDVJZNVOSNSHF-KUMOIWDRSA-N
InChI=1S/C18H26NO3.NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;2-1(3)4/h3-7,14-17,20H,8-12H2,1-2H3;/q+1;-1/t14-,15+,16+,17?;
Molecular Formula | NO3 |
Molecular Weight | 62.0049 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H26NO3 |
Molecular Weight | 304.4039 |
Charge | 1 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:10:35 UTC 2023
by
admin
on
Fri Dec 15 15:10:35 UTC 2023
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Record UNII |
Q48D9J47K2
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Record Status |
Validated (UNII)
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-
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SUB12156MIG
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436
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m2136
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C174866
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759122
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DTXSID0045543
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200-156-1
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100000079567
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C006649
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52-88-0
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Q48D9J47K2
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CHEMBL1187724
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |