Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H21F2N3O4.ClH.H2O |
| Molecular Weight | 459.871 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.COC1=C(N2C[C@@H](N)C3(CC3)C2)C(F)=CC4=C1N(C=C(C(O)=O)C4=O)[C@@H]5C[C@@H]5F
InChI
InChIKey=YYHIYVINQXNSAK-GTHDFCBYSA-N
InChI=1S/C20H21F2N3O4.ClH.H2O/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20;;/h4,6,11,13-14H,2-3,5,7-8,23H2,1H3,(H,27,28);1H;1H2/t11-,13+,14+;;/m0../s1
| 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 |
| 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 | C20H21F2N3O4 |
| Molecular Weight | 405.3952 |
| 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
Wed Apr 02 06:34:29 GMT 2025
by
admin
on
Wed Apr 02 06:34:29 GMT 2025
|
| Record UNII |
1OH4IPM7S2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Code | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
1OH4IPM7S2
Created by
admin on Wed Apr 02 06:34:29 GMT 2025 , Edited by admin on Wed Apr 02 06:34:29 GMT 2025
|
PRIMARY | |||
|
364069-13-6
Created by
admin on Wed Apr 02 06:34:29 GMT 2025 , Edited by admin on Wed Apr 02 06:34:29 GMT 2025
|
PRIMARY | |||
|
9955877
Created by
admin on Wed Apr 02 06:34:29 GMT 2025 , Edited by admin on Wed Apr 02 06:34:29 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |