Details
Stereochemistry | RACEMIC |
Molecular Formula | C22H27NO6.CH4O3S |
Molecular Weight | 497.559 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2OC(C)=O)C(O)CNC(C)(C)C
InChI
InChIKey=AJXBMZSHJWNNAN-UHFFFAOYSA-N
InChI=1S/C22H27NO6.CH4O3S/c1-14(24)28-20-12-16(18(25)13-23-22(2,3)4)8-11-19(20)29-21(26)15-6-9-17(27-5)10-7-15;1-5(2,3)4/h6-12,18,23,25H,13H2,1-5H3;1H3,(H,2,3,4)
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C22H27NO6 |
Molecular Weight | 401.4529 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:12:57 UTC 2023
by
admin
on
Fri Dec 15 16:12:57 UTC 2023
|
Record UNII |
4ZSF6GBG5S
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
NCI_THESAURUS |
C29712
Created by
admin on Fri Dec 15 16:12:57 UTC 2023 , Edited by admin on Fri Dec 15 16:12:57 UTC 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
DTXSID40976210
Created by
admin on Fri Dec 15 16:12:57 UTC 2023 , Edited by admin on Fri Dec 15 16:12:57 UTC 2023
|
PRIMARY | |||
|
4ZSF6GBG5S
Created by
admin on Fri Dec 15 16:12:57 UTC 2023 , Edited by admin on Fri Dec 15 16:12:57 UTC 2023
|
PRIMARY | |||
|
CHEMBL2111023
Created by
admin on Fri Dec 15 16:12:57 UTC 2023 , Edited by admin on Fri Dec 15 16:12:57 UTC 2023
|
PRIMARY | |||
|
C75139
Created by
admin on Fri Dec 15 16:12:57 UTC 2023 , Edited by admin on Fri Dec 15 16:12:57 UTC 2023
|
PRIMARY | |||
|
3047792
Created by
admin on Fri Dec 15 16:12:57 UTC 2023 , Edited by admin on Fri Dec 15 16:12:57 UTC 2023
|
PRIMARY | |||
|
60734-88-5
Created by
admin on Fri Dec 15 16:12:57 UTC 2023 , Edited by admin on Fri Dec 15 16:12:57 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |