Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C30H37FN2O10 |
| Molecular Weight | 604.6206 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(=CC=C1OCCCN2CCC(CC2)C3=NOC4=CC(F)=CC=C34)C(C)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O
InChI
InChIKey=KKBREPCBKZCNSO-PADXFKBFSA-N
InChI=1S/C30H37FN2O10/c1-16(41-30-27(36)25(34)26(35)28(42-30)29(37)38)18-4-7-21(23(14-18)39-2)40-13-3-10-33-11-8-17(9-12-33)24-20-6-5-19(31)15-22(20)43-32-24/h4-7,14-17,25-28,30,34-36H,3,8-13H2,1-2H3,(H,37,38)/t16?,25-,26-,27+,28-,30+/m0/s1
| Molecular Formula | C30H37FN2O10 |
| Molecular Weight | 604.6206 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:59:46 UTC 2023
by
admin
on
Sat Dec 16 14:59:46 UTC 2023
|
| Record UNII |
NCD7YT59QE
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
165411996
Created by
admin on Sat Dec 16 14:59:47 UTC 2023 , Edited by admin on Sat Dec 16 14:59:47 UTC 2023
|
PRIMARY | |||
|
NCD7YT59QE
Created by
admin on Sat Dec 16 14:59:47 UTC 2023 , Edited by admin on Sat Dec 16 14:59:47 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
This metabolite counted 1.5 % of dose in excreta from all six human subjects following a single oral dose of 3 mg 14C IL0522.
|
