Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H21ClN5O4P.C4H4O4 |
| Molecular Weight | 553.889 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.C[C@H](CN1C=NC2=C1N=CN=C2N)OC[P@@]3(=O)OCC[C@H](O3)C4=CC(Cl)=CC=C4
InChI
InChIKey=VLXCMWQJGQKIAD-MXVFSTPESA-N
InChI=1S/C18H21ClN5O4P.C4H4O4/c1-12(8-24-10-23-16-17(20)21-9-22-18(16)24)26-11-29(25)27-6-5-15(28-29)13-3-2-4-14(19)7-13;5-3(6)1-2-4(7)8/h2-4,7,9-10,12,15H,5-6,8,11H2,1H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-,15+,29-;/m1./s1
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C18H21ClN5O4P |
| Molecular Weight | 437.817 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:27:56 UTC 2023
by
admin
on
Sat Dec 16 19:27:56 UTC 2023
|
| Record UNII |
29E2UZ8D7C
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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29E2UZ8D7C
Created by
admin on Sat Dec 16 19:27:56 UTC 2023 , Edited by admin on Sat Dec 16 19:27:56 UTC 2023
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PRIMARY | |||
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164512951
Created by
admin on Sat Dec 16 19:27:56 UTC 2023 , Edited by admin on Sat Dec 16 19:27:56 UTC 2023
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1799797-57-1
Created by
admin on Sat Dec 16 19:27:56 UTC 2023 , Edited by admin on Sat Dec 16 19:27:56 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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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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