Details
Stereochemistry | EPIMERIC |
Molecular Formula | C18H26NO3.Br |
Molecular Weight | 384.308 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChIKey=XMLNCADGRIEXPK-KUMOIWDRSA-M
InChI=1S/C18H26NO3.BrH/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;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16+,17?;
Molecular Formula | C18H25NO3 |
Molecular Weight | 303.396 |
Charge | 0 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | BrH |
Molecular Weight | 80.912 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:06:12 UTC 2023
by
admin
on
Fri Dec 15 17:06:12 UTC 2023
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Record UNII |
63IFT0IX9N
|
Record Status |
Validated (UNII)
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Record Version |
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-
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2870-71-5
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CHEMBL1187724
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SUB00623MIG
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m2136
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DTXSID2045103
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220-700-1
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100000085344
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63IFT0IX9N
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C006649
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61810
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |