Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H33N5O2.C4H6O6.2H2O |
| Molecular Weight | 645.7006 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O[C@@H]([C@H](O)C(O)=O)C(O)=O.CN1CCC(CC1)N2CCN(CC2)C(=O)[C@H](NC(=O)C3=CC4=C(C=CN4)C=C3)C5=CC=CC=C5
InChI
InChIKey=YZFUPCWBVXZFFH-JJCILTHLSA-N
InChI=1S/C27H33N5O2.C4H6O6.2H2O/c1-30-13-10-23(11-14-30)31-15-17-32(18-16-31)27(34)25(21-5-3-2-4-6-21)29-26(33)22-8-7-20-9-12-28-24(20)19-22;5-1(3(7)8)2(6)4(9)10;;/h2-9,12,19,23,25,28H,10-11,13-18H2,1H3,(H,29,33);1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t25-;1-,2-;;/m10../s1
| Molecular Formula | C27H33N5O2 |
| Molecular Weight | 459.5832 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 21:04:33 GMT 2025
by
admin
on
Wed Apr 02 21:04:33 GMT 2025
|
| Record UNII |
FXW79F3TSR
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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FXW79F3TSR
Created by
admin on Wed Apr 02 21:04:33 GMT 2025 , Edited by admin on Wed Apr 02 21:04:33 GMT 2025
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PRIMARY | |||
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171390263
Created by
admin on Wed Apr 02 21:04:33 GMT 2025 , Edited by admin on Wed Apr 02 21:04:33 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| ORAL BIOAVAILABILITY | PHARMACOKINETIC |
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