Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H31ClN6O3.C2HF3O2 |
| Molecular Weight | 564.986 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(F)(F)F.N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl
InChI
InChIKey=LVMMUTOLGAPIGO-LPZNKSAJSA-N
InChI=1S/C21H31ClN6O3.C2HF3O2/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26);(H,6,7)/t15-,16+,17+;/m1./s1
| Molecular Formula | C2HF3O2 |
| Molecular Weight | 114.0233 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H31ClN6O3 |
| Molecular Weight | 450.962 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:26:44 GMT 2025
by
admin
on
Mon Mar 31 18:26:44 GMT 2025
|
| Record UNII |
Z6P87Q3S82
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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157379-44-7
Created by
admin on Mon Mar 31 18:26:44 GMT 2025 , Edited by admin on Mon Mar 31 18:26:44 GMT 2025
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91617936
Created by
admin on Mon Mar 31 18:26:44 GMT 2025 , Edited by admin on Mon Mar 31 18:26:44 GMT 2025
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Z6P87Q3S82
Created by
admin on Mon Mar 31 18:26:44 GMT 2025 , Edited by admin on Mon Mar 31 18:26:44 GMT 2025
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m9086
Created by
admin on Mon Mar 31 18:26:44 GMT 2025 , Edited by admin on Mon Mar 31 18:26:44 GMT 2025
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
