Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H13N3.C2H2O4.H2O |
| Molecular Weight | 319.3126 |
| Optical Activity | NONE |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Meso |
SHOW SMILES / InChI
SMILES
O.OC(=O)C(O)=O.C1[C@H]2CNC[C@@H]1C3=CC4=NC=CN=C4C=C23
InChI
InChIKey=NRULWYCGNVYADZ-DRJPZDRJSA-N
InChI=1S/C13H13N3.C2H2O4.H2O/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;3-1(4)2(5)6;/h1-2,4-5,8-9,14H,3,6-7H2;(H,3,4)(H,5,6);1H2/t8-,9+;;
| Molecular Formula | C2H2O4 |
| Molecular Weight | 90.0349 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C13H13N3 |
| Molecular Weight | 211.2624 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:21:07 UTC 2023
by
admin
on
Sat Dec 16 19:21:07 UTC 2023
|
| Record UNII |
F2PGH5WAQ4
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
164512975
Created by
admin on Sat Dec 16 19:21:08 UTC 2023 , Edited by admin on Sat Dec 16 19:21:08 UTC 2023
|
PRIMARY | |||
|
F2PGH5WAQ4
Created by
admin on Sat Dec 16 19:21:08 UTC 2023 , Edited by admin on Sat Dec 16 19:21:08 UTC 2023
|
PRIMARY | |||
|
300000041015
Created by
admin on Sat Dec 16 19:21:08 UTC 2023 , Edited by admin on Sat Dec 16 19:21:08 UTC 2023
|
PRIMARY | |||
|
2041583-40-6
Created by
admin on Sat Dec 16 19:21:08 UTC 2023 , Edited by admin on Sat Dec 16 19:21:08 UTC 2023
|
NON-SPECIFIC STOICHIOMETRY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
|
||
|
|
ANHYDROUS->SOLVATE |
|
