Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H21F3N2O2.2ClH.H2O |
| Molecular Weight | 469.325 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.Cl.OC(=O)CN1CCN(CC1)[C@H](C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChIKey=XWTYMLWXSSRROS-RGFWRHHQSA-N
InChI=1S/C20H21F3N2O2.2ClH.H2O/c21-20(22,23)17-8-4-7-16(13-17)19(15-5-2-1-3-6-15)25-11-9-24(10-12-25)14-18(26)27;;;/h1-8,13,19H,9-12,14H2,(H,26,27);2*1H;1H2/t19-;;;/m1.../s1
| Molecular Formula | C20H21F3N2O2 |
| Molecular Weight | 378.3881 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| 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 |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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
Fri Dec 15 16:01:43 UTC 2023
by
admin
on
Fri Dec 15 16:01:43 UTC 2023
|
| Record UNII |
J38W30OH53
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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131634790
Created by
admin on Fri Dec 15 16:01:43 UTC 2023 , Edited by admin on Fri Dec 15 16:01:43 UTC 2023
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PRIMARY | |||
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1392484-48-8
Created by
admin on Fri Dec 15 16:01:43 UTC 2023 , Edited by admin on Fri Dec 15 16:01:43 UTC 2023
|
PRIMARY | |||
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J38W30OH53
Created by
admin on Fri Dec 15 16:01:43 UTC 2023 , Edited by admin on Fri Dec 15 16:01:43 UTC 2023
|
PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |