Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C13H13N3O3.ClH.H2O |
| Molecular Weight | 313.737 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.NC1=CC=CC2=C1CN(C3CCC(=O)NC3=O)C2=O
InChI
InChIKey=NEUSAGZHGGOOIV-UHFFFAOYSA-N
InChI=1S/C13H13N3O3.ClH.H2O/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;;/h1-3,10H,4-6,14H2,(H,15,17,18);1H;1H2
| Molecular Formula | C13H13N3O3 |
| Molecular Weight | 259.2606 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| 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 | ClH |
| Molecular Weight | 36.461 |
| 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 18:28:09 UTC 2023
by
admin
on
Sat Dec 16 18:28:09 UTC 2023
|
| Record UNII |
XMU8E2M8RM
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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XMU8E2M8RM
Created by
admin on Sat Dec 16 18:28:09 UTC 2023 , Edited by admin on Sat Dec 16 18:28:09 UTC 2023
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PRIMARY | |||
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100000174105
Created by
admin on Sat Dec 16 18:28:09 UTC 2023 , Edited by admin on Sat Dec 16 18:28:09 UTC 2023
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PRIMARY | |||
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165412089
Created by
admin on Sat Dec 16 18:28:09 UTC 2023 , Edited by admin on Sat Dec 16 18:28:09 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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