Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H18N5O2.Na |
| Molecular Weight | 347.3469 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[O-]C(=O)C[C@H](C1CCCC1)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
InChI
InChIKey=VUEQHBIBQRJXIT-PFEQFJNWSA-M
InChI=1S/C17H19N5O2.Na/c23-15(24)7-14(11-3-1-2-4-11)22-9-12(8-21-22)16-13-5-6-18-17(13)20-10-19-16;/h5-6,8-11,14H,1-4,7H2,(H,23,24)(H,18,19,20);/q;+1/p-1/t14-;/m1./s1
| Molecular Formula | C17H18N5O2 |
| Molecular Weight | 324.3571 |
| Charge | -1 |
| 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 20:22:16 GMT 2023
by
admin
on
Sat Dec 16 20:22:16 GMT 2023
|
| Record UNII |
G44F8C4PM2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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2947651-01-4
Created by
admin on Sat Dec 16 20:22:16 GMT 2023 , Edited by admin on Sat Dec 16 20:22:16 GMT 2023
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G44F8C4PM2
Created by
admin on Sat Dec 16 20:22:16 GMT 2023 , Edited by admin on Sat Dec 16 20:22:16 GMT 2023
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145769590
Created by
admin on Sat Dec 16 20:22:16 GMT 2023 , Edited by admin on Sat Dec 16 20:22:16 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of β-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanoic acid, (βR)-](/img/35217f1b-fad4-4b03-80d6-6cef153a4212.svg "Structure of β-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanoic acid, (βR)-")