Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C47H51NO15 |
| Molecular Weight | 869.9055 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12OC[C@@]1(OC(C)=O)[C@@]3([H])[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)[C@@H]2O)C5(C)C
InChI
InChIKey=NDCWHEDPSFRTDA-FJMWQILYSA-N
InChI=1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1
| Molecular Formula | C47H51NO15 |
| Molecular Weight | 869.9055 |
| 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 02:16:28 GMT 2023
by
admin
on
Sat Dec 16 02:16:28 GMT 2023
|
| Record UNII |
P97L07N47V
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Name | Type | Language | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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153212-75-0
Created by
admin on Sat Dec 16 02:16:28 GMT 2023 , Edited by admin on Sat Dec 16 02:16:28 GMT 2023
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P97L07N47V
Created by
admin on Sat Dec 16 02:16:28 GMT 2023 , Edited by admin on Sat Dec 16 02:16:28 GMT 2023
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PRIMARY | |||
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10056458
Created by
admin on Sat Dec 16 02:16:28 GMT 2023 , Edited by admin on Sat Dec 16 02:16:28 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
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In vitro studies with human liver microsomes and tissue slices showed that paclitaxel was metabolized primarily to 6α-hydroxypaclitaxel by CYP2C8; and to two minor metabolites, 3'-p-hydroxypaclitaxel and 6α, 3'-p-dihydroxypaclitaxel, by CYP3A4.
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