Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C22H30N2O3.C4H4O4 |
| Molecular Weight | 486.5574 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.[H][C@@]12CC3=CN(C(C)C)C4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2C)C(=O)OCC(C)O
InChI
InChIKey=LULOXHOIAKAESP-BSPDQKPESA-N
InChI=1S/C22H30N2O3.C4H4O4/c1-13(2)24-11-15-9-20-18(17-6-5-7-19(24)21(15)17)8-16(10-23(20)4)22(26)27-12-14(3)25;5-3(6)1-2-4(7)8/h5-7,11,13-14,16,18,20,25H,8-10,12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14?,16-,18-,20-;/m1./s1
| Molecular Formula | C22H30N2O3 |
| Molecular Weight | 370.4852 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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
Fri Dec 15 22:05:53 UTC 2023
by
admin
on
Fri Dec 15 22:05:53 UTC 2023
|
| Record UNII |
3CU0T4BPEK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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3CU0T4BPEK
Created by
admin on Fri Dec 15 22:05:53 UTC 2023 , Edited by admin on Fri Dec 15 22:05:53 UTC 2023
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119057583
Created by
admin on Fri Dec 15 22:05:53 UTC 2023 , Edited by admin on Fri Dec 15 22:05:53 UTC 2023
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34338-32-4
Created by
admin on Fri Dec 15 22:05:53 UTC 2023 , Edited by admin on Fri Dec 15 22:05:53 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
