Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C38H51N3O12S2 |
| Molecular Weight | 805.954 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
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=ULVBLFBUTQMAGZ-RTNCXNSASA-N
InChI=1S/C38H51N3O12S2/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)/t29-,31-,32-,33-,34+,35-,36-,38-/m1/s1
| Molecular Formula | C38H51N3O12S2 |
| Molecular Weight | 805.954 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:46:49 UTC 2023
by
admin
on
Sat Dec 16 09:46:49 UTC 2023
|
| Record UNII |
X2JZ0451H8
|
| 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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Common Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C78276
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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NCI_THESAURUS |
C2081
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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| Code System | Code | Type | Description | ||
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Volixibat
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CD-118
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admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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10072
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admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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DB13914
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admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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24987688
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admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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1025216-57-2
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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300000001420
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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C152907
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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DTXSID00109892
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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X2JZ0451H8
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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PRIMARY |
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR | |||
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ACTIVE MOIETY |
