Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H20N4O6S.2Na |
| Molecular Weight | 502.451 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CN(CC1=CC2=C(C=C1)N=C(C)NC2=O)C3=CC=C(S3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
InChI
InChIKey=HYYVJHYAMGPPLX-CKUXDGONSA-L
InChI=1S/C21H22N4O6S.2Na/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27;;/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28);;/q;2*+1/p-2/t15-;;/m0../s1
| Molecular Formula | C21H20N4O6S |
| Molecular Weight | 456.472 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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 08:22:55 UTC 2023
by
admin
on
Sat Dec 16 08:22:55 UTC 2023
|
| Record UNII |
50VZN4BPUK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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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 | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C2021
Created by
admin on Sat Dec 16 08:22:55 UTC 2023 , Edited by admin on Sat Dec 16 08:22:55 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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135565658
Created by
admin on Sat Dec 16 08:22:55 UTC 2023 , Edited by admin on Sat Dec 16 08:22:55 UTC 2023
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PRIMARY | |||
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C148170
Created by
admin on Sat Dec 16 08:22:55 UTC 2023 , Edited by admin on Sat Dec 16 08:22:55 UTC 2023
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PRIMARY | |||
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50VZN4BPUK
Created by
admin on Sat Dec 16 08:22:55 UTC 2023 , Edited by admin on Sat Dec 16 08:22:55 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |