Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C46H56N4O9 |
Molecular Weight | 808.9582 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 11 / 11 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12O[C@@]1(CC)C[N@]3C[C@@H]2C[C@@](C(=O)OC)(C4=C(CC3)C5=CC=CC=C5N4)C6=CC7=C(C=C6OC)N(C)[C@]8([H])[C@]79CCN%10CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]8(O)C(=O)OC)[C@@]9%10[H]
InChI
InChIKey=LPGWZGMPDKDHEP-NVDFJPPOSA-N
InChI=1S/C46H56N4O9/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36+,37-,38+,39+,42+,43-,44+,45-,46-/m0/s1
Molecular Formula | C46H56N4O9 |
Molecular Weight | 808.9582 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 10 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:49:07 UTC 2023
by
admin
on
Fri Dec 15 18:49:07 UTC 2023
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Record UNII |
803MS59U85
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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 |
C932
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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NCI_THESAURUS |
C274
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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Code System | Code | Type | Description | ||
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3506
Created by
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1439
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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23360-92-1
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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259898
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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528004
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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CHEMBL1183519
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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803MS59U85
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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300000037046
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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DTXSID501318611
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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PRIMARY | |||
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C152884
Created by
admin on Fri Dec 15 18:49:07 UTC 2023 , Edited by admin on Fri Dec 15 18:49:07 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |