Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C24H28N2O3.C4H4O4 |
| Molecular Weight | 508.5629 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CCC1=CC2=C(CC(C2)NC[C@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)C=C1CC
InChI
InChIKey=IREJFXIHXRZFER-XRQUGHPZSA-N
InChI=1S/C24H28N2O3.C4H4O4/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1+/t22-;/m0./s1
| Molecular Formula | C24H28N2O3 |
| Molecular Weight | 392.4907 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| 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
Sat Dec 16 14:49:21 UTC 2023
by
admin
on
Sat Dec 16 14:49:21 UTC 2023
|
| Record UNII |
J3BI9P40XE
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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10255695
Created by
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100000183718
Created by
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1000160-87-1
Created by
admin on Sat Dec 16 14:49:21 UTC 2023 , Edited by admin on Sat Dec 16 14:49:21 UTC 2023
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J3BI9P40XE
Created by
admin on Sat Dec 16 14:49:21 UTC 2023 , Edited by admin on Sat Dec 16 14:49:21 UTC 2023
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PRIMARY |
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|---|---|---|---|---|
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |