Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H19ClN2S.C6H8O6 |
| Molecular Weight | 494.988 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC[C@H](O)[C@H]1OC(=O)C(O)=C1O.CN(C)CCCN2C3=CC(Cl)=CC=C3SC4=C2C=CC=C4
InChI
InChIKey=HPAVYPYIWVCLSG-MGMRMFRLSA-N
InChI=1S/C17H19ClN2S.C6H8O6/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;7-1-2(8)5-3(9)4(10)6(11)12-5/h3-4,6-9,12H,5,10-11H2,1-2H3;2,5,7-10H,1H2/t;2-,5+/m.0/s1
| Molecular Formula | C17H19ClN2S |
| Molecular Weight | 318.864 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H8O6 |
| Molecular Weight | 176.1241 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:03:28 GMT 2025
by
admin
on
Mon Mar 31 19:03:28 GMT 2025
|
| Record UNII |
46995AIA65
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
DTXSID00231958
Created by
admin on Mon Mar 31 19:03:28 GMT 2025 , Edited by admin on Mon Mar 31 19:03:28 GMT 2025
|
PRIMARY | |||
|
82678-20-4
Created by
admin on Mon Mar 31 19:03:28 GMT 2025 , Edited by admin on Mon Mar 31 19:03:28 GMT 2025
|
PRIMARY | |||
|
46995AIA65
Created by
admin on Mon Mar 31 19:03:28 GMT 2025 , Edited by admin on Mon Mar 31 19:03:28 GMT 2025
|
PRIMARY | |||
|
54683198
Created by
admin on Mon Mar 31 19:03:28 GMT 2025 , Edited by admin on Mon Mar 31 19:03:28 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE | |||
|
|
PARENT -> SALT/SOLVATE |