Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H23BrNO3.I |
| Molecular Weight | 460.146 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[I-].CC[N+](C)(CC)CC[C@@H](C)OC(=O)C1=CC=C(Br)O1
InChI
InChIKey=KROWHJNUJMVHNU-RFVHGSKJSA-M
InChI=1S/C14H23BrNO3.HI/c1-5-16(4,6-2)10-9-11(3)18-14(17)12-7-8-13(15)19-12;/h7-8,11H,5-6,9-10H2,1-4H3;1H/q+1;/p-1/t11-;/m1./s1
| Molecular Formula | C14H23BrNO3 |
| Molecular Weight | 333.241 |
| Charge | 1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | HI |
| Molecular Weight | 127.91241 |
| 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
Tue Apr 01 16:20:44 GMT 2025
by
admin
on
Tue Apr 01 16:20:44 GMT 2025
|
| Record UNII |
2EB1KDR45P
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Common Name | English |
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2EB1KDR45P
Created by
admin on Tue Apr 01 16:20:44 GMT 2025 , Edited by admin on Tue Apr 01 16:20:44 GMT 2025
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PRIMARY | |||
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76966168
Created by
admin on Tue Apr 01 16:20:44 GMT 2025 , Edited by admin on Tue Apr 01 16:20:44 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |