Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H38N2O2.C4H4O4 |
| Molecular Weight | 550.6857 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CCO[C@H]1CC[C@H](NCC[C@]2(CCOC3(CCCC3)C2)C4=NC=CC=C4)C5=C1C=CC=C5
InChI
InChIKey=VFGOEMJUCDUQKE-UCTPHWQQSA-N
InChI=1S/C28H38N2O2.C4H4O4/c1-2-31-25-13-12-24(22-9-3-4-10-23(22)25)29-19-16-27(26-11-5-8-18-30-26)17-20-32-28(21-27)14-6-7-15-28;5-3(6)1-2-4(7)8/h3-5,8-11,18,24-25,29H,2,6-7,12-17,19-21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-,25-,27+;/m0./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 | C28H38N2O2 |
| Molecular Weight | 434.6135 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:28:36 UTC 2023
by
admin
on
Sat Dec 16 13:28:36 UTC 2023
|
| Record UNII |
DDVNKK01XA
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Code System | Code | Type | Description | ||
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135357058
Created by
admin on Sat Dec 16 13:28:36 UTC 2023 , Edited by admin on Sat Dec 16 13:28:36 UTC 2023
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2245827-85-2
Created by
admin on Sat Dec 16 13:28:36 UTC 2023 , Edited by admin on Sat Dec 16 13:28:36 UTC 2023
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PRIMARY | |||
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DDVNKK01XA
Created by
admin on Sat Dec 16 13:28:36 UTC 2023 , Edited by admin on Sat Dec 16 13:28:36 UTC 2023
|
PRIMARY |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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