Details
| Stereochemistry | RACEMIC |
| Molecular Formula | 2C21H31N3O4.C4H4O4 |
| Molecular Weight | 895.0492 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 6 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.OC(CN[C@H]1CC[C@H](CC1)N2CCNC2=O)COC3=CC=CC=C3OCC=C.OC(CN[C@H]4CC[C@H](CC4)N5CCNC5=O)COC6=CC=CC=C6OCC=C
InChI
InChIKey=NYSYXWHMQSKUIZ-CTWLWYTASA-N
InChI=1S/2C21H31N3O4.C4H4O4/c2*1-2-13-27-19-5-3-4-6-20(19)28-15-18(25)14-23-16-7-9-17(10-8-16)24-12-11-22-21(24)26;5-3(6)1-2-4(7)8/h2*2-6,16-18,23,25H,1,7-15H2,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*16-,17+,18?;
| Molecular Formula | C21H31N3O4 |
| Molecular Weight | 389.4885 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:53:32 GMT 2025
by
admin
on
Mon Mar 31 17:53:32 GMT 2025
|
| Record UNII |
G2BO98R5MG
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
89529-55-5
Created by
admin on Mon Mar 31 17:53:32 GMT 2025 , Edited by admin on Mon Mar 31 17:53:32 GMT 2025
|
PRIMARY | |||
|
G2BO98R5MG
Created by
admin on Mon Mar 31 17:53:32 GMT 2025 , Edited by admin on Mon Mar 31 17:53:32 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
