Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H22N8O5.H2O |
| Molecular Weight | 472.4546 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O
InChI
InChIKey=FPJYMUQSRFJSEW-BTQNPOSSSA-N
InChI=1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m1./s1
| 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 | C20H22N8O5 |
| Molecular Weight | 454.4393 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:22:30 UTC 2023
by
admin
on
Sat Dec 16 18:22:30 UTC 2023
|
| Record UNII |
3UKI40B4O6
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
331717-43-2
Created by
admin on Sat Dec 16 18:22:31 UTC 2023 , Edited by admin on Sat Dec 16 18:22:31 UTC 2023
|
NON-SPECIFIC STOICHIOMETRY | |||
|
71623008
Created by
admin on Sat Dec 16 18:22:31 UTC 2023 , Edited by admin on Sat Dec 16 18:22:31 UTC 2023
|
PRIMARY | |||
|
3UKI40B4O6
Created by
admin on Sat Dec 16 18:22:31 UTC 2023 , Edited by admin on Sat Dec 16 18:22:31 UTC 2023
|
PRIMARY | |||
|
206557-07-5
Created by
admin on Sat Dec 16 18:22:31 UTC 2023 , Edited by admin on Sat Dec 16 18:22:31 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
