Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C29H38FN3O3.2ClH |
Molecular Weight | 568.551 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.COCC(=O)O[C@]3(CCN(C)CCCC1=NC2=CC=CC=C2N1)CCC4=CC(F)=CC=C4[C@@H]3C(C)C
InChI
InChIKey=MTJLQTFHJIHXIX-GDUXWEAWSA-N
InChI=1S/C29H38FN3O3.2ClH/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26;;/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32);2*1H/t28-,29-;;/m0../s1
Molecular Formula | C29H38FN3O3 |
Molecular Weight | 495.6287 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:53:57 UTC 2023
by
admin
on
Fri Dec 15 15:53:57 UTC 2023
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Record UNII |
842TUP3PQ8
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Record Status |
Validated (UNII)
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Record Version |
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-
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NCI_THESAURUS |
C333
Created by
admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
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Code System | Code | Type | Description | ||
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CHEMBL45816
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DTXSID8044204
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83214
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842TUP3PQ8
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m7522
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116666-63-8
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DBSALT002896
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FF-64
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100000086229
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C87687
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60662
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SUB20668
Created by
admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |