Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H29N3O2S.2C4H4O4 |
Molecular Weight | 643.705 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CC(=O)C1=CC2=C(SC3=C(C=CC=C3)N2CCCN4CCN(CCO)CC4)C=C1
InChI
InChIKey=NUKVZKPNSKJGBK-SPIKMXEPSA-N
InChI=1S/C23H29N3O2S.2C4H4O4/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27;2*5-3(6)1-2-4(7)8/h2-3,5-8,17,27H,4,9-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C23H29N3O2S |
Molecular Weight | 411.56 |
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 16:36:35 UTC 2023
by
admin
on
Fri Dec 15 16:36:35 UTC 2023
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Record UNII |
3P5HNU5JTC
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29710
Created by
admin on Fri Dec 15 16:36:36 UTC 2023 , Edited by admin on Fri Dec 15 16:36:36 UTC 2023
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NCI_THESAURUS |
C740
Created by
admin on Fri Dec 15 16:36:36 UTC 2023 , Edited by admin on Fri Dec 15 16:36:36 UTC 2023
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Code System | Code | Type | Description | ||
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C65210
Created by
admin on Fri Dec 15 16:36:36 UTC 2023 , Edited by admin on Fri Dec 15 16:36:36 UTC 2023
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PRIMARY | |||
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100000078827
Created by
admin on Fri Dec 15 16:36:36 UTC 2023 , Edited by admin on Fri Dec 15 16:36:36 UTC 2023
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PRIMARY | |||
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C100162
Created by
admin on Fri Dec 15 16:36:36 UTC 2023 , Edited by admin on Fri Dec 15 16:36:36 UTC 2023
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PRIMARY | |||
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70600
Created by
admin on Fri Dec 15 16:36:36 UTC 2023 , Edited by admin on Fri Dec 15 16:36:36 UTC 2023
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PRIMARY | |||
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3P5HNU5JTC
Created by
admin on Fri Dec 15 16:36:35 UTC 2023 , Edited by admin on Fri Dec 15 16:36:35 UTC 2023
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PRIMARY | |||
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SUB00255MIG
Created by
admin on Fri Dec 15 16:36:35 UTC 2023 , Edited by admin on Fri Dec 15 16:36:35 UTC 2023
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DBSALT001415
Created by
admin on Fri Dec 15 16:36:35 UTC 2023 , Edited by admin on Fri Dec 15 16:36:35 UTC 2023
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DTXSID7047851
Created by
admin on Fri Dec 15 16:36:35 UTC 2023 , Edited by admin on Fri Dec 15 16:36:35 UTC 2023
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5281082
Created by
admin on Fri Dec 15 16:36:36 UTC 2023 , Edited by admin on Fri Dec 15 16:36:36 UTC 2023
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PRIMARY | |||
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227-202-3
Created by
admin on Fri Dec 15 16:36:35 UTC 2023 , Edited by admin on Fri Dec 15 16:36:35 UTC 2023
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2402
Created by
admin on Fri Dec 15 16:36:35 UTC 2023 , Edited by admin on Fri Dec 15 16:36:35 UTC 2023
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PRIMARY | |||
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91127
Created by
admin on Fri Dec 15 16:36:36 UTC 2023 , Edited by admin on Fri Dec 15 16:36:36 UTC 2023
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PRIMARY | RxNorm | ||
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5714-00-1
Created by
admin on Fri Dec 15 16:36:35 UTC 2023 , Edited by admin on Fri Dec 15 16:36:35 UTC 2023
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CHEMBL1085
Created by
admin on Fri Dec 15 16:36:35 UTC 2023 , Edited by admin on Fri Dec 15 16:36:35 UTC 2023
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169180
Created by
admin on Fri Dec 15 16:36:36 UTC 2023 , Edited by admin on Fri Dec 15 16:36:36 UTC 2023
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PRIMARY | |||
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m991
Created by
admin on Fri Dec 15 16:36:35 UTC 2023 , Edited by admin on Fri Dec 15 16:36:35 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |