Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C22H30N2O4.C4H4O4 |
| Molecular Weight | 502.5568 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.COC1=CC2=C(C=C1OC)C3=C(CN(CC(C)N4CCCCC4)CC3)C(=O)O2
InChI
InChIKey=HXOSWXRXACMUNL-BTJKTKAUSA-N
InChI=1S/C22H30N2O4.C4H4O4/c1-15(24-8-5-4-6-9-24)13-23-10-7-16-17-11-20(26-2)21(27-3)12-19(17)28-22(25)18(16)14-23;5-3(6)1-2-4(7)8/h11-12,15H,4-10,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C22H30N2O4 |
| Molecular Weight | 386.4846 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| StereoComments | Assumed racemic |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:57:18 GMT 2025
by
admin
on
Mon Mar 31 17:57:18 GMT 2025
|
| Record UNII |
E2P2SV0D4B
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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12899703
Created by
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79494-81-8
Created by
admin on Mon Mar 31 17:57:18 GMT 2025 , Edited by admin on Mon Mar 31 17:57:18 GMT 2025
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