Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C31H47O6.Na |
Molecular Weight | 538.691 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12C[C@@H](O)[C@@]3([H])[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@]4([H])CC[C@]3(C)[C@@]1(C)C[C@H](OC(C)=O)\C2=C(\CCC=C(C)C)C([O-])=O
InChI
InChIKey=HJHVQCXHVMGZNC-JCJNLNMISA-M
InChI=1S/C31H48O6.Na/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32;/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);/q;+1/p-1/b26-20-;/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-;/m0./s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C31H47O6 |
Molecular Weight | 515.7013 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:01:08 UTC 2023
by
admin
on
Fri Dec 15 15:01:08 UTC 2023
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Record UNII |
J7P3696BCQ
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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 |
C28394
Created by
admin on Fri Dec 15 15:01:08 UTC 2023 , Edited by admin on Fri Dec 15 15:01:08 UTC 2023
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FDA ORPHAN DRUG |
723519
Created by
admin on Fri Dec 15 15:01:08 UTC 2023 , Edited by admin on Fri Dec 15 15:01:08 UTC 2023
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FDA ORPHAN DRUG |
400513
Created by
admin on Fri Dec 15 15:01:08 UTC 2023 , Edited by admin on Fri Dec 15 15:01:08 UTC 2023
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NCI_THESAURUS |
C52588
Created by
admin on Fri Dec 15 15:01:08 UTC 2023 , Edited by admin on Fri Dec 15 15:01:08 UTC 2023
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Code System | Code | Type | Description | ||
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23672955
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SUB12288MIG
Created by
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100000079317
Created by
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212-030-3
Created by
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m5616
Created by
admin on Fri Dec 15 15:01:08 UTC 2023 , Edited by admin on Fri Dec 15 15:01:08 UTC 2023
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PRIMARY | Merck Index | ||
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J7P3696BCQ
Created by
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DTXSID9045552
Created by
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J7P3696BCQ
Created by
admin on Fri Dec 15 15:01:08 UTC 2023 , Edited by admin on Fri Dec 15 15:01:08 UTC 2023
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PRIMARY | |||
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9874
Created by
admin on Fri Dec 15 15:01:08 UTC 2023 , Edited by admin on Fri Dec 15 15:01:08 UTC 2023
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PRIMARY | RxNorm | ||
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751-94-0
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CHEMBL383466
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DBSALT000340
Created by
admin on Fri Dec 15 15:01:08 UTC 2023 , Edited by admin on Fri Dec 15 15:01:08 UTC 2023
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C65792
Created by
admin on Fri Dec 15 15:01:08 UTC 2023 , Edited by admin on Fri Dec 15 15:01:08 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |