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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H23ClN4O4S
Molecular Weight 378.875
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S,2S,3R,5S)-3-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol

SMILES

CCCSC1=NC(N[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)=C(N)C(Cl)=N1

InChI

InChIKey=FWGBZSJJCDADJP-YKDSUIRESA-N
InChI=1S/C14H23ClN4O4S/c1-2-5-24-14-18-12(15)9(16)13(19-14)17-7-6-8(23-4-3-20)11(22)10(7)21/h7-8,10-11,20-22H,2-6,16H2,1H3,(H,17,18,19)/t7-,8+,10+,11-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(1S,2S,3R,5S)-3-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol
Systematic Name English
Ticagrelor Related Compound 57
Preferred Name English
1,2-Cyclopentanediol, 3-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-
Systematic Name English
(1S,2S,3S,5R)-3-(2-Hydroxyethoxy)-5-[[5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
Systematic Name English
Code System Code Type Description
FDA UNII
L6PE88Y2Z9
Created by admin on Wed Apr 02 14:30:24 GMT 2025 , Edited by admin on Wed Apr 02 14:30:24 GMT 2025
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CAS
1402150-32-6
Created by admin on Wed Apr 02 14:30:24 GMT 2025 , Edited by admin on Wed Apr 02 14:30:24 GMT 2025
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PUBCHEM
71609773
Created by admin on Wed Apr 02 14:30:24 GMT 2025 , Edited by admin on Wed Apr 02 14:30:24 GMT 2025
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