Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C38H72N2O12.H2O |
Molecular Weight | 766.9998 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]2[C@H](C)[C@@H](O[C@]3([H])O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C
InChI
InChIKey=HQUPLSLYZHKKQT-WVVFQGGUSA-N
InChI=1S/C38H72N2O12.H2O/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;/h20-33,35,41-43,45-46H,15-19H2,1-14H3;1H2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;/m1./s1
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C38H72N2O12 |
Molecular Weight | 748.9845 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:08:52 UTC 2023
by
admin
on
Fri Dec 15 15:08:52 UTC 2023
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Record UNII |
JTE4MNN1MD
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C261
Created by
admin on Fri Dec 15 15:08:52 UTC 2023 , Edited by admin on Fri Dec 15 15:08:52 UTC 2023
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100000139341
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C76215
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9897015
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DTXSID10861063
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DBSALT001208
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SUB87696
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JTE4MNN1MD
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JTE4MNN1MD
Created by
admin on Fri Dec 15 15:08:52 UTC 2023 , Edited by admin on Fri Dec 15 15:08:52 UTC 2023
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1298839
Created by
admin on Fri Dec 15 15:08:52 UTC 2023 , Edited by admin on Fri Dec 15 15:08:52 UTC 2023
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PRIMARY | RxNorm | ||
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121470-24-4
Created by
admin on Fri Dec 15 15:08:52 UTC 2023 , Edited by admin on Fri Dec 15 15:08:52 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |