Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H31NO.C4H4O4 |
| Molecular Weight | 417.5384 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)C3=CC=CC=C3
InChI
InChIKey=RFQWRWCCNQNACG-HJYQBBATSA-N
InChI=1S/C20H31NO.C4H4O4/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16;5-3(6)1-2-4(7)8/h6-10,17H,11-15H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t17-,19-,20+;/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 | C20H31NO |
| Molecular Weight | 301.4662 |
| 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
Fri Dec 15 15:25:41 UTC 2023
by
admin
on
Fri Dec 15 15:25:41 UTC 2023
|
| Record UNII |
W1183TY0EE
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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W1183TY0EE
Created by
admin on Fri Dec 15 15:25:41 UTC 2023 , Edited by admin on Fri Dec 15 15:25:41 UTC 2023
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6438165
Created by
admin on Fri Dec 15 15:25:41 UTC 2023 , Edited by admin on Fri Dec 15 15:25:41 UTC 2023
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120444-72-6
Created by
admin on Fri Dec 15 15:25:41 UTC 2023 , Edited by admin on Fri Dec 15 15:25:41 UTC 2023
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m4186
Created by
admin on Fri Dec 15 15:25:41 UTC 2023 , Edited by admin on Fri Dec 15 15:25:41 UTC 2023
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
