Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C43H51NO15 |
| Molecular Weight | 821.8627 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](N6[C@H](O)C(C)(C)OC6=O)C7=CC=CC=C7
InChI
InChIKey=MZGHWPNTSVYFCV-SMTGUGMOSA-N
InChI=1S/C43H51NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,37,46-48,52,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,37+,41+,42-,43+/m0/s1
| Molecular Formula | C43H51NO15 |
| Molecular Weight | 821.8627 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 11 / 12 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 00:36:40 UTC 2023
by
admin
on
Sat Dec 16 00:36:40 UTC 2023
|
| Record UNII |
27K6GL8M1V
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
157067-33-9
Created by
admin on Sat Dec 16 00:36:41 UTC 2023 , Edited by admin on Sat Dec 16 00:36:41 UTC 2023
|
PRIMARY | |||
|
91800071
Created by
admin on Sat Dec 16 00:36:41 UTC 2023 , Edited by admin on Sat Dec 16 00:36:41 UTC 2023
|
PRIMARY | |||
|
27K6GL8M1V
Created by
admin on Sat Dec 16 00:36:41 UTC 2023 , Edited by admin on Sat Dec 16 00:36:41 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
In vitro drug interaction studies revealed that docetaxel is metabolized by the CYP3A4 isoenzyme
MINOR
FECAL
|
