Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H28F2N6O5S |
| Molecular Weight | 538.567 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC[S@@+]([O-])C1=NC(N[C@@H]2C[C@H]2C3=CC=C(F)C(F)=C3)=C4N=NN([C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O)C4=N1
InChI
InChIKey=DXFXDCXSENDSIK-YRRICNIOSA-N
InChI=1S/C23H28F2N6O5S/c1-2-7-37(35)23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(36-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+,37+/m0/s1
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
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Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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M23C5ZW6EN
Created by
admin on Wed Apr 02 19:23:11 GMT 2025 , Edited by admin on Wed Apr 02 19:23:11 GMT 2025
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PRIMARY | |||
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2417798-14-0
Created by
admin on Wed Apr 02 19:23:11 GMT 2025 , Edited by admin on Wed Apr 02 19:23:11 GMT 2025
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PRIMARY | |||
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169410073
Created by
admin on Wed Apr 02 19:23:11 GMT 2025 , Edited by admin on Wed Apr 02 19:23:11 GMT 2025
|
PRIMARY |
![Structure of (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-[(R)-propylsulfinyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol](/img/fd766f38-fa85-4b90-9bd6-d1ecad66fc0e.svg "Structure of (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-[(R)-propylsulfinyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol")