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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18N6.H3O4P
Molecular Weight 404.3602
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ruxolitinib phosphate, (S)-

SMILES

OP(O)(O)=O.N#CC[C@@H](C1CCCC1)N2C=C(C=N2)C3=NC=NC4=C3C=CN4

InChI

InChIKey=JFMWPOCYMYGEDM-RSAXXLAASA-N
InChI=1S/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Ruxolitinib phosphate, (S)-
Common Name English
(3S)-3-Cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; phosphoric acid
Preferred Name English
Code System Code Type Description
FDA UNII
SG32XD66ML
Created by admin on Wed Apr 02 21:24:10 GMT 2025 , Edited by admin on Wed Apr 02 21:24:10 GMT 2025
PRIMARY
PUBCHEM
60146016
Created by admin on Wed Apr 02 21:24:10 GMT 2025 , Edited by admin on Wed Apr 02 21:24:10 GMT 2025
PRIMARY
CAS
2703484-89-1
Created by admin on Wed Apr 02 21:24:10 GMT 2025 , Edited by admin on Wed Apr 02 21:24:10 GMT 2025
PRIMARY