Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C28H36N4O2S.ClH |
Molecular Weight | 529.137 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]4CCCC[C@H]4CN5CCN(CC5)C6=NSC7=C6C=CC=C7)C2=O
InChI
InChIKey=NEKCRUIRPWNMLK-SCIYSFAVSA-N
InChI=1S/C28H36N4O2S.ClH/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26;/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2;1H/t18-,19+,20-,21-,24+,25-;/m0./s1
Molecular Formula | C28H36N4O2S |
Molecular Weight | 492.676 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 6 / 6 |
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 15:52:33 UTC 2023
by
admin
on
Fri Dec 15 15:52:33 UTC 2023
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Record UNII |
O0P4I5851I
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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 |
C66883
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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NCI_THESAURUS |
C66885
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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Code System | Code | Type | Description | ||
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RR-74
Created by
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DBSALT000113
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admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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DTXSID401027714
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admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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CHEMBL1237021
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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100000127954
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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1040027
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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PRIMARY | RxNorm | ||
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O0P4I5851I
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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70732
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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C77576
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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m6943
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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PRIMARY | Merck Index | ||
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367514-88-3
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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O0P4I5851I
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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SUB34204
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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11237860
Created by
admin on Fri Dec 15 15:52:34 UTC 2023 , Edited by admin on Fri Dec 15 15:52:34 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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