Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H23NO5S |
| Molecular Weight | 401.476 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCCCC1=CC(=CC2=C1OC3=CC=C(C=C3C2=O)C(O)=O)S(C)(=N)=O
InChI
InChIKey=DIGXMFZQXQUVMR-UHFFFAOYSA-N
InChI=1S/C21H23NO5S/c1-3-4-5-6-7-13-10-15(28(2,22)26)12-17-19(23)16-11-14(21(24)25)8-9-18(16)27-20(13)17/h8-12,22H,3-7H2,1-2H3,(H,24,25)
| Molecular Formula | C21H23NO5S |
| Molecular Weight | 401.476 |
| 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
Mon Mar 31 18:26:22 GMT 2025
by
admin
on
Mon Mar 31 18:26:22 GMT 2025
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| Record UNII |
H6C0F5AD7D
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
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Preferred Name | English | ||
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Official Name | English |
| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29712
Created by
admin on Mon Mar 31 18:26:22 GMT 2025 , Edited by admin on Mon Mar 31 18:26:22 GMT 2025
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| Code System | Code | Type | Description | ||
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100000083233
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68785
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CHEMBL1627264
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SUB10668MIG
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admin on Mon Mar 31 18:26:22 GMT 2025 , Edited by admin on Mon Mar 31 18:26:22 GMT 2025
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C050424
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H6C0F5AD7D
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DTXSID80866707
Created by
admin on Mon Mar 31 18:26:22 GMT 2025 , Edited by admin on Mon Mar 31 18:26:22 GMT 2025
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C75144
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4839
Created by
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58761-87-8
Created by
admin on Mon Mar 31 18:26:22 GMT 2025 , Edited by admin on Mon Mar 31 18:26:22 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
Treatment of allergy, allergic asthma, and asthmatic bronchitis.Possessed potent activity in the IgE-induced rat passive cutaneous anaphylaxis model.
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