Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C38H50N3O12S2.K |
Molecular Weight | 844.045 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[K+].CCCC[C@]1(CC)CS(=O)(=O)C2=CC=C(C=C2[C@H]([C@H]1O)C3=CC(NC(=O)N[C@@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](OCC5=CC=CC=C5)[C@H]4O)=CC=C3)N(C)C
InChI
InChIKey=CJMKTEIIPMBTJB-DXFHJFHKSA-M
InChI=1S/C38H51N3O12S2.K/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50;/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50);/q;+1/p-1/t29-,31-,32-,33-,34+,35-,36-,38-;/m1./s1
Molecular Formula | C38H50N3O12S2 |
Molecular Weight | 804.947 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | K |
Molecular Weight | 39.0983 |
Charge | 1 |
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
Sat Dec 16 08:45:16 UTC 2023
by
admin
on
Sat Dec 16 08:45:16 UTC 2023
|
Record UNII |
YWU8J6O8J0
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Name | Type | Language | ||
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Official Name | English | ||
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Code | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Code | English | ||
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Systematic Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C78276
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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NCI_THESAURUS |
C2081
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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Code System | Code | Type | Description | ||
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C152908
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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PRIMARY | |||
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DBSALT002576
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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PRIMARY | |||
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300000001421
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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PRIMARY | |||
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CD-119
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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PRIMARY | |||
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1431935-92-0
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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PRIMARY | |||
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CHEMBL3707222
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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PRIMARY | |||
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YWU8J6O8J0
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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PRIMARY | |||
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89522394
Created by
admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS |
Related Record | Type | Details | ||
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ACTIVE MOIETY |