Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H28NO3.C7H7O3S |
| Molecular Weight | 489.624 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.C[N+]2(C)CC[C@H](C2)OC(=O)[C@](O)(C3CCCC3)C4=CC=CC=C4
InChI
InChIKey=OFNFMAIFGLDTDC-POCMBTLOSA-M
InChI=1S/C19H28NO3.C7H8O3S/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t17-,19-;/m1./s1
| Molecular Formula | C19H28NO3 |
| Molecular Weight | 318.4305 |
| Charge | 1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C7H7O3S |
| Molecular Weight | 171.194 |
| Charge | -1 |
| 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
Tue Apr 01 16:39:22 GMT 2025
by
admin
on
Tue Apr 01 16:39:22 GMT 2025
|
| Record UNII |
VS0H3PO4BZ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
77845876
Created by
admin on Tue Apr 01 16:39:22 GMT 2025 , Edited by admin on Tue Apr 01 16:39:22 GMT 2025
|
PRIMARY | |||
|
1624259-23-9
Created by
admin on Tue Apr 01 16:39:22 GMT 2025 , Edited by admin on Tue Apr 01 16:39:22 GMT 2025
|
PRIMARY | |||
|
VS0H3PO4BZ
Created by
admin on Tue Apr 01 16:39:22 GMT 2025 , Edited by admin on Tue Apr 01 16:39:22 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
RACEMATE -> ENANTIOMER | |||
|
|
SALT/SOLVATE -> PARENT | |||
|
|
PARENT -> SALT/SOLVATE |