Details
Stereochemistry | RACEMIC |
Molecular Formula | C22H38NO4.Br |
Molecular Weight | 460.445 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
[Br-].CCC(C)(C)C(O)(C(=O)OCC[N+](CC)(CC)CC)C1=CC=C(OC)C=C1
InChI
InChIKey=VNEDVKNXJORZBY-UHFFFAOYSA-M
InChI=1S/C22H38NO4.BrH/c1-8-21(5,6)22(25,18-12-14-19(26-7)15-13-18)20(24)27-17-16-23(9-2,10-3)11-4;/h12-15,25H,8-11,16-17H2,1-7H3;1H/q+1;/p-1
Molecular Formula | C22H37NO4 |
Molecular Weight | 379.5335 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 15:24:11 GMT 2023
by
admin
on
Fri Dec 15 15:24:11 GMT 2023
|
Record UNII |
2CB28X3133
|
Record Status |
Validated (UNII)
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Record Version |
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-
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22311-92-8
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2CB28X3133
Created by
admin on Fri Dec 15 15:24:11 GMT 2023 , Edited by admin on Fri Dec 15 15:24:11 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |