Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H21N3O.2C4H6O6 |
| Molecular Weight | 583.5418 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12CC3=CNC4=C3C(=CC=C4)[C@@]1([H])C[C@@H](CC(N)=O)CN2C
InChI
InChIKey=QTWZVXVIOJJQTN-WQRMPROISA-N
InChI=1S/C17H21N3O.2C4H6O6/c1-20-9-10(6-16(18)21)5-13-12-3-2-4-14-17(12)11(8-19-14)7-15(13)20;2*5-1(3(7)8)2(6)4(9)10/h2-4,8,10,13,15,19H,5-7,9H2,1H3,(H2,18,21);2*1-2,5-6H,(H,7,8)(H,9,10)/t10-,13+,15+;2*1-,2-/m011/s1
| Molecular Formula | C17H21N3O |
| Molecular Weight | 283.3681 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 02:06:20 GMT 2023
by
admin
on
Sat Dec 16 02:06:20 GMT 2023
|
| Record UNII |
7VS62Q784B
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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41562-69-0
Created by
admin on Sat Dec 16 02:06:21 GMT 2023 , Edited by admin on Sat Dec 16 02:06:21 GMT 2023
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91799746
Created by
admin on Sat Dec 16 02:06:21 GMT 2023 , Edited by admin on Sat Dec 16 02:06:21 GMT 2023
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7VS62Q784B
Created by
admin on Sat Dec 16 02:06:21 GMT 2023 , Edited by admin on Sat Dec 16 02:06:21 GMT 2023
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36458-52-3
Created by
admin on Sat Dec 16 02:06:21 GMT 2023 , Edited by admin on Sat Dec 16 02:06:21 GMT 2023
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NON-SPECIFIC STOICHIOMETRY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |