Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H19N3O5S.H2O |
| Molecular Weight | 407.441 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C\C=C/C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)C2=O)C(O)=O
InChI
InChIKey=ALYUMNAHLSSTOU-HERYOFLYSA-N
InChI=1S/C18H19N3O5S.H2O/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);1H2/b3-2-;/t12-,13-,17-;/m1./s1
| Molecular Formula | C18H19N3O5S |
| Molecular Weight | 389.426 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| 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
Mon Mar 31 18:02:19 GMT 2025
by
admin
on
Mon Mar 31 18:02:19 GMT 2025
|
| Record UNII |
358K60B00H
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Preferred Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C357
Created by
admin on Mon Mar 31 18:02:19 GMT 2025 , Edited by admin on Mon Mar 31 18:02:19 GMT 2025
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
C80090
Created by
admin on Mon Mar 31 18:02:19 GMT 2025 , Edited by admin on Mon Mar 31 18:02:19 GMT 2025
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PRIMARY | |||
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1098050
Created by
admin on Mon Mar 31 18:02:19 GMT 2025 , Edited by admin on Mon Mar 31 18:02:19 GMT 2025
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PRIMARY | |||
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9887643
Created by
admin on Mon Mar 31 18:02:19 GMT 2025 , Edited by admin on Mon Mar 31 18:02:19 GMT 2025
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PRIMARY | |||
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358K60B00H
Created by
admin on Mon Mar 31 18:02:19 GMT 2025 , Edited by admin on Mon Mar 31 18:02:19 GMT 2025
|
PRIMARY | |||
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114876-72-1
Created by
admin on Mon Mar 31 18:02:19 GMT 2025 , Edited by admin on Mon Mar 31 18:02:19 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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