Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H26F6N2O2.ClH.H2O |
Molecular Weight | 554.953 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChIKey=GZQWMYVDLCUBQX-WVZIYJGPSA-N
InChI=1S/C25H26F6N2O2.ClH.H2O/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H;1H2/t16-,22-,23-;;/m1../s1
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C25H26F6N2O2 |
Molecular Weight | 500.4766 |
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 15:29:19 UTC 2023
by
admin
on
Fri Dec 15 15:29:19 UTC 2023
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Record UNII |
57O5S1QSAQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C267
Created by
admin on Fri Dec 15 15:29:19 UTC 2023 , Edited by admin on Fri Dec 15 15:29:19 UTC 2023
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Code System | Code | Type | Description | ||
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SS-118
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16203739
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57O5S1QSAQ
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914462-92-3
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90908
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m11844
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CHEMBL3707331
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90912
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90911
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C97955
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DBSALT002389
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300000043660
Created by
admin on Fri Dec 15 15:29:19 UTC 2023 , Edited by admin on Fri Dec 15 15:29:19 UTC 2023
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57O5S1QSAQ
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DTXSID70238570
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1673367
Created by
admin on Fri Dec 15 15:29:19 UTC 2023 , Edited by admin on Fri Dec 15 15:29:19 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |