Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H33ClO13 |
| Molecular Weight | 613.007 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@H]4O)C=C1
InChI
InChIKey=NCWJAFYOAQFTQX-GCGVPRHFSA-N
InChI=1S/C28H33ClO13/c1-2-38-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)29)28-24(35)22(23(34)27(11-30,42-28)12-39-28)41-26-20(33)18(31)19(32)21(40-26)25(36)37/h3-8,10,18-24,26,30-35H,2,9,11-12H2,1H3,(H,36,37)/t18-,19-,20+,21-,22-,23-,24+,26-,27-,28-/m0/s1
| Molecular Formula | C28H33ClO13 |
| Molecular Weight | 613.007 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:01:27 GMT 2023
by
admin
on
Sat Dec 16 15:01:27 GMT 2023
|
| Record UNII |
U7X2VQX83T
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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1500090-85-6
Created by
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118752988
Created by
admin on Sat Dec 16 15:01:28 GMT 2023 , Edited by admin on Sat Dec 16 15:01:28 GMT 2023
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U7X2VQX83T
Created by
admin on Sat Dec 16 15:01:28 GMT 2023 , Edited by admin on Sat Dec 16 15:01:28 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
(PLASMA CIRCULATION) 24.1%, (URINE) 31.7%, (FECES) N.D.%, AFTER ADMINISTRATION OF A SINGLE 25-MG (100 MICROCURIE) ORAL DOSE OF (14C)-ERTUGLIFLOZIN (N=6, ALL MALE)
IN-VIVO
PLASMA; URINE
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