Details
Stereochemistry | EPIMERIC |
Molecular Formula | C20H24N2O2.C3H6O3 |
Molecular Weight | 414.4947 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)C(O)=O.[H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)C3=C4C=C(OC)C=CC4=NC=C3
InChI
InChIKey=ZIDGEHZBXVXPFQ-VJAUXQICSA-N
InChI=1S/C20H24N2O2.C3H6O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2(4)3(5)6/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2,4H,1H3,(H,5,6)/t13-,14-,19+,20-;/m0./s1
Molecular Formula | C3H6O3 |
Molecular Weight | 90.0779 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C20H24N2O2 |
Molecular Weight | 324.4168 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:47:43 UTC 2023
by
admin
on
Sat Dec 16 10:47:43 UTC 2023
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Record UNII |
W59Y55X20H
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Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID40909028
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10453-16-4
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SUB15080MIG
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W59Y55X20H
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23624029
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85135-84-8
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285-705-3
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100000078597
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admin on Sat Dec 16 10:47:43 UTC 2023 , Edited by admin on Sat Dec 16 10:47:43 UTC 2023
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ACTIVE MOIETY |