Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H26F3N5O3.H2O |
| Molecular Weight | 567.5589 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC5=NC=CC=C45)C(=O)N1CC(F)(F)F)C6=CC=CC=C6
InChI
InChIKey=MHMIXOHTGUOZPL-FXHBTGJVSA-N
InChI=1S/C29H26F3N5O3.H2O/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40;/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40);1H2/t16-,20-,22+,28+;/m1./s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C29H26F3N5O3 |
| Molecular Weight | 549.5436 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:27:43 UTC 2023
by
admin
on
Sat Dec 16 14:27:43 UTC 2023
|
| Record UNII |
PL4X5AE3X4
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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300000011964
Created by
admin on Sat Dec 16 14:27:43 UTC 2023 , Edited by admin on Sat Dec 16 14:27:43 UTC 2023
|
PRIMARY | |||
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1488327-13-4
Created by
admin on Sat Dec 16 14:27:43 UTC 2023 , Edited by admin on Sat Dec 16 14:27:43 UTC 2023
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PRIMARY | |||
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118023163
Created by
admin on Sat Dec 16 14:27:43 UTC 2023 , Edited by admin on Sat Dec 16 14:27:43 UTC 2023
|
PRIMARY | |||
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PL4X5AE3X4
Created by
admin on Sat Dec 16 14:27:43 UTC 2023 , Edited by admin on Sat Dec 16 14:27:43 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
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|
PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |