Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H34N2O3.C2HF3O2 |
| Molecular Weight | 536.5831 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(F)(F)F.C[C@@H]1CC[C@@H](C)N1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCOCC4
InChI
InChIKey=OHBFCJRSEWUPBT-MUCZFFFMSA-N
InChI=1S/C26H34N2O3.C2HF3O2/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10-23(11-13-25)22-6-8-24(9-7-22)26(29)27-15-18-30-19-16-27;3-2(4,5)1(6)7/h6-13,20-21H,3-5,14-19H2,1-2H3;(H,6,7)/t20-,21-;/m1./s1
| Molecular Formula | C26H34N2O3 |
| Molecular Weight | 422.5598 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 17 23:38:41 UTC 2022
by
admin
on
Sat Dec 17 23:38:41 UTC 2022
|
| Record UNII |
5O2BWE72H6
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Common Name | English | ||
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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DTXSID001027574
Created by
admin on Sat Dec 17 23:38:41 UTC 2022 , Edited by admin on Sat Dec 17 23:38:41 UTC 2022
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PRIMARY | |||
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5O2BWE72H6
Created by
admin on Sat Dec 17 23:38:41 UTC 2022 , Edited by admin on Sat Dec 17 23:38:41 UTC 2022
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PRIMARY | |||
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556835-30-4
Created by
admin on Sat Dec 17 23:38:41 UTC 2022 , Edited by admin on Sat Dec 17 23:38:41 UTC 2022
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PRIMARY | |||
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71587762
Created by
admin on Sat Dec 17 23:38:41 UTC 2022 , Edited by admin on Sat Dec 17 23:38:41 UTC 2022
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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TARGET -> INHIBITOR |
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ACTIVE MOIETY |