Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C46H56N4O9.H2O4S |
Molecular Weight | 907.037 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@@]12N3CC[C@@]14C5=C(C=C(OC)C(=C5)[C@]6(C[C@]7([H])C[C@H](CC)CN(C7)CCC8=C6NC9=CC=CC=C89)C(=O)OC)N(C=O)[C@@]4([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC
InChI
InChIKey=BCXOZISMDZTYHW-IFQBWSDRSA-N
InChI=1S/C46H56N4O9.H2O4S/c1-7-28-20-29-23-45(41(53)57-5,37-31(14-18-48(24-28)25-29)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)56-4)50(26-51)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(59-27(3)52)46(39,55)42(54)58-6;1-5(2,3)4/h9-13,15,21-22,26,28-29,38-40,47,55H,7-8,14,16-20,23-25H2,1-6H3;(H2,1,2,3,4)/t28-,29-,38-,39+,40+,43+,44+,45-,46-;/m0./s1
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C46H56N4O9 |
Molecular Weight | 808.9582 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 9 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:01:29 GMT 2023
by
admin
on
Fri Dec 15 17:01:29 GMT 2023
|
Record UNII |
LS5489G27S
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Common Name | English | ||
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Code | English | ||
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Common Name | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C932
Created by
admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
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NCI_THESAURUS |
C67422
Created by
admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
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Code System | Code | Type | Description | ||
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LS5489G27S
Created by
admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
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PRIMARY | |||
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C152882
Created by
admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
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PRIMARY | |||
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23725066
Created by
admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
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PRIMARY | |||
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DTXSID101003197
Created by
admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
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PRIMARY | |||
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CHEMBL2110748
Created by
admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
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PRIMARY | |||
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U-25
Created by
admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
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PRIMARY | |||
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83200-11-7
Created by
admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 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 |