Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H66O14 |
| Molecular Weight | 794.965 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 21 / 21 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](OC)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]4CC[C@@]5(C)[C@]([H])(CC[C@]6([H])[C@]5([H])C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4
InChI
InChIKey=IYJMSDVSVHDVGT-PEQKVOOWSA-N
InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1
| Molecular Formula | C42H66O14 |
| Molecular Weight | 794.965 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 21 / 21 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:48:26 UTC 2023
by
admin
on
Sat Dec 16 16:48:26 UTC 2023
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| Record UNII |
I7GG1YUC5V
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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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WHO-VATC |
QC01AA08
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WHO-ATC |
C01AA08
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admin on Sat Dec 16 16:48:26 UTC 2023 , Edited by admin on Sat Dec 16 16:48:26 UTC 2023
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| Code System | Code | Type | Description | ||
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C170170
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DB13401
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443946
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2876
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6686
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I7GG1YUC5V
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SUB08887MIG
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100000091460
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30685-43-9
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Metildigoxin
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D008520
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250-292-0
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m4456
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DTXSID0023294
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CHEMBL1697843
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1761
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLITE -> PARENT |
Metabolite to parent drug ratio in non-uraemic human plasma.
The N-desmethyl metabolite has similar efficacy as the parent drug in the treatment of patients with petit mal epilepsy.
METABOLITE TO PARENT DRUG RATIO
PLASMA; URINE
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
