Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C36H42O17 |
| Molecular Weight | 746.7085 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 11 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)=C(OC(=O)OCC4COC(C)(C)O4)C(OC)=C3)C5=C(C=C6OCOC6=C5)[C@H]2O[C@@H]7O[C@]8([H])CO[C@@H](C)O[C@@]8([H])[C@H](O)[C@H]7O
InChI
InChIKey=FCWSQAKOPTZCOD-SQYSSJHTSA-N
InChI=1S/C36H42O17/c1-15-43-13-25-32(49-15)28(37)29(38)34(50-25)51-30-19-9-22-21(46-14-47-22)8-18(19)26(27-20(30)12-44-33(27)39)16-6-23(41-4)31(24(7-16)42-5)52-35(40)45-10-17-11-48-36(2,3)53-17/h6-9,15,17,20,25-30,32,34,37-38H,10-14H2,1-5H3/t15-,17?,20+,25-,26-,27+,28-,29-,30-,32-,34+/m1/s1
| Molecular Formula | C36H42O17 |
| Molecular Weight | 746.7085 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 11 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:12:52 UTC 2023
by
admin
on
Sat Dec 16 12:12:52 UTC 2023
|
| Record UNII |
A59HL2Q48U
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
FDA ORPHAN DRUG |
671318
Created by
admin on Sat Dec 16 12:12:52 UTC 2023 , Edited by admin on Sat Dec 16 12:12:52 UTC 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
433304-61-1
Created by
admin on Sat Dec 16 12:12:52 UTC 2023 , Edited by admin on Sat Dec 16 12:12:52 UTC 2023
|
PRIMARY | |||
|
C114977
Created by
admin on Sat Dec 16 12:12:53 UTC 2023 , Edited by admin on Sat Dec 16 12:12:53 UTC 2023
|
PRIMARY | |||
|
A59HL2Q48U
Created by
admin on Sat Dec 16 12:12:53 UTC 2023 , Edited by admin on Sat Dec 16 12:12:53 UTC 2023
|
PRIMARY | |||
|
101163123
Created by
admin on Sat Dec 16 12:12:53 UTC 2023 , Edited by admin on Sat Dec 16 12:12:53 UTC 2023
|
PRIMARY | |||
|
10430
Created by
admin on Sat Dec 16 12:12:53 UTC 2023 , Edited by admin on Sat Dec 16 12:12:53 UTC 2023
|
PRIMARY | |||
|
EU/3/14/1270
Created by
admin on Sat Dec 16 12:12:52 UTC 2023 , Edited by admin on Sat Dec 16 12:12:52 UTC 2023
|
PRIMARY | On 4 June 2014, orphan designation (EU/3/14/1270) was granted by the European Commission to CellAct Pharma GmbH, Germany, for (5R,5aR,8aR,9S)-9-[[4,6-O-[(R)-Ethylidene]-β-D-glucopyranosyl]-oxy]-5-(4-({[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]carbonyl}oxy)-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxol-6(5aH)-one for the treatment of biliary tract cancer. | ||
|
100000183902
Created by
admin on Sat Dec 16 12:12:53 UTC 2023 , Edited by admin on Sat Dec 16 12:12:53 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
METABOLITE ACTIVE -> PRODRUG |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
|