Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H23NO4.C4H4O4 |
| Molecular Weight | 469.4838 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CCCNC[C@@H](O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChIKey=AEAIVULHCUHDDP-MLCLTIQSSA-N
InChI=1S/C21H23NO4.C4H4O4/c1-2-10-22-13-16(23)14-25-17-8-9-18-19(24)12-20(26-21(18)11-17)15-6-4-3-5-7-15;5-3(6)1-2-4(7)8/h3-9,11-12,16,22-23H,2,10,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-;/m1./s1
| 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 |
| Molecular Formula | C21H23NO4 |
| Molecular Weight | 353.4116 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:36:25 GMT 2025
by
admin
on
Mon Mar 31 23:36:25 GMT 2025
|
| Record UNII |
QDC192M5M4
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Common Name | English |
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QDC192M5M4
Created by
admin on Mon Mar 31 23:36:25 GMT 2025 , Edited by admin on Mon Mar 31 23:36:25 GMT 2025
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PRIMARY | |||
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76972223
Created by
admin on Mon Mar 31 23:36:25 GMT 2025 , Edited by admin on Mon Mar 31 23:36:25 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |