Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H20FN3O4.C3H6O3 |
Molecular Weight | 451.4454 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | C3 H6 O3 |
SHOW SMILES / InChI
SMILES
CC(O)C(O)=O.C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N4CCN(C)CC4
InChI
InChIKey=ONDRRTIAGBDDKP-PPHPATTJSA-N
InChI=1S/C18H20FN3O4.C3H6O3/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;1-2(4)3(5)6/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);2,4H,1H3,(H,5,6)/t10-;/m0./s1
Molecular Formula | C18H20FN3O4 |
Molecular Weight | 361.3675 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:26:01 UTC 2023
by
admin
on
Sat Dec 16 08:26:01 UTC 2023
|
Record UNII |
NHR291QA18
|
Record Status |
Validated (UNII)
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Record Version |
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-
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97853-07-1
Created by
admin on Sat Dec 16 08:26:01 UTC 2023 , Edited by admin on Sat Dec 16 08:26:01 UTC 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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25119532
Created by
admin on Sat Dec 16 08:26:01 UTC 2023 , Edited by admin on Sat Dec 16 08:26:01 UTC 2023
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PRIMARY | |||
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SUB121291
Created by
admin on Sat Dec 16 08:26:01 UTC 2023 , Edited by admin on Sat Dec 16 08:26:01 UTC 2023
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PRIMARY | |||
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DTXSID00648769
Created by
admin on Sat Dec 16 08:26:01 UTC 2023 , Edited by admin on Sat Dec 16 08:26:01 UTC 2023
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PRIMARY | |||
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294662-18-3
Created by
admin on Sat Dec 16 08:26:01 UTC 2023 , Edited by admin on Sat Dec 16 08:26:01 UTC 2023
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NHR291QA18
Created by
admin on Sat Dec 16 08:26:01 UTC 2023 , Edited by admin on Sat Dec 16 08:26:01 UTC 2023
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100000144586
Created by
admin on Sat Dec 16 08:26:01 UTC 2023 , Edited by admin on Sat Dec 16 08:26:01 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |