Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C16H13ClN2O2.H2O4S |
| Molecular Weight | 398.818 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C3=CC=CC=C3
InChI
InChIKey=XNBFXTXDZMWXMN-UHFFFAOYSA-N
InChI=1S/C16H13ClN2O2.H2O4S/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10;1-5(2,3)4/h2-9,15,20H,1H3;(H2,1,2,3,4)
| Molecular Formula | C16H13ClN2O2 |
| Molecular Weight | 300.74 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| 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 01:35:59 UTC 2023
by
admin
on
Sat Dec 16 01:35:59 UTC 2023
|
| Record UNII |
I1HX8463I0
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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17311-34-1
Created by
admin on Sat Dec 16 01:35:59 UTC 2023 , Edited by admin on Sat Dec 16 01:35:59 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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I1HX8463I0
Created by
admin on Sat Dec 16 01:35:59 UTC 2023 , Edited by admin on Sat Dec 16 01:35:59 UTC 2023
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PRIMARY | |||
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121225695
Created by
admin on Sat Dec 16 01:35:59 UTC 2023 , Edited by admin on Sat Dec 16 01:35:59 UTC 2023
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PRIMARY | |||
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31677-86-8
Created by
admin on Sat Dec 16 01:35:59 UTC 2023 , Edited by admin on Sat Dec 16 01:35:59 UTC 2023
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PRIMARY | |||
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DBSALT002271
Created by
admin on Sat Dec 16 01:35:59 UTC 2023 , Edited by admin on Sat Dec 16 01:35:59 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
