Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H13N3.C2H2O4 |
| Molecular Weight | 301.2973 |
| Optical Activity | NONE |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(O)=O.C1[C@H]2CNC[C@@H]1C3=CC4=C(C=C23)N=CC=N4
InChI
InChIKey=KVMSYFKKTPXOQW-UFIFRZAQSA-N
InChI=1S/C13H13N3.C2H2O4/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)/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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:16:25 UTC 2023
by
admin
on
Sat Dec 16 15:16:25 UTC 2023
|
| Record UNII |
H9NLT16A4C
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Preferred Name | English | ||
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Common Name | English | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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139593409
Created by
admin on Sat Dec 16 15:16:25 UTC 2023 , Edited by admin on Sat Dec 16 15:16:25 UTC 2023
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PRIMARY | |||
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H9NLT16A4C
Created by
admin on Sat Dec 16 15:16:25 UTC 2023 , Edited by admin on Sat Dec 16 15:16:25 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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|
SOLVATE->ANHYDROUS |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |