Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C17H23NO3.H2O4S |
Molecular Weight | 676.817 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 6 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3.CN4[C@H]5CC[C@@H]4C[C@@H](C5)OC(=O)C(CO)C6=CC=CC=C6
InChI
InChIKey=HOBWAPHTEJGALG-AADVZIIPSA-N
InChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15+,16?;
Molecular Formula | C17H23NO3 |
Molecular Weight | 289.3694 |
Charge | 0 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:20:02 UTC 2023
by
admin
on
Fri Dec 15 18:20:02 UTC 2023
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Record UNII |
KAE4PSB0Z3
|
Record Status |
Validated (UNII)
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Record Version |
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-
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KAE4PSB0Z3
Created by
admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
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200-235-0
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admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
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26671
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admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
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DTXSID3049419
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admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
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55-48-1
Created by
admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
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m2136
Created by
admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
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100000085345
Created by
admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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