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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18N6.H3O4P
Molecular Weight 412.4095
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEURUXOLITINIB PHOSPHATE

SMILES

OP(O)(O)=O.[2H]C1([2H])C([C@@H](CC#N)N2C=C(C=N2)C3=NC=NC4=C3C=CN4)C([2H])([2H])C([2H])([2H])C1([2H])[2H]

InChI

InChIKey=JFMWPOCYMYGEDM-NTVOUFPTSA-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-;/m1./s1/i1D2,2D2,3D2,4D2;

HIDE SMILES / InChI

Approval Year

Name Type Language
DEURUXOLITINIB PHOSPHATE
USAN  
Official Name English
DEURUXOLITINIB PHOSPHATE [USAN]
Common Name English
CTP-543 PHOSPHATE
Code English
1H-PYRAZOLE-1-PROPANENITRILE, .BETA.-(CYCLOPENTYL-2,2,3,3,4,4,5,5-D8)-4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-, (.BETA.R)-, PHOSPHATE
Common Name English
(3R)-3-(2,2,3,3,4,4,5,5-D8)CYCLOPENTYL-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)PROPANENITRILE PHOSPHATE (1:1)
Systematic Name English
D8-RUXOLITINIB PHOSPHATE
Common Name English
C-21543 PHOSPHATE
Code English
Code System Code Type Description
NCI_THESAURUS
C175771
Created by admin on Sat Dec 16 18:17:37 GMT 2023 , Edited by admin on Sat Dec 16 18:17:37 GMT 2023
PRIMARY
PUBCHEM
154572727
Created by admin on Sat Dec 16 18:17:37 GMT 2023 , Edited by admin on Sat Dec 16 18:17:37 GMT 2023
PRIMARY
CAS
2147706-60-1
Created by admin on Sat Dec 16 18:17:37 GMT 2023 , Edited by admin on Sat Dec 16 18:17:37 GMT 2023
PRIMARY
USAN
GH-187
Created by admin on Sat Dec 16 18:17:37 GMT 2023 , Edited by admin on Sat Dec 16 18:17:37 GMT 2023
PRIMARY
FDA UNII
8VJ43S4LCM
Created by admin on Sat Dec 16 18:17:37 GMT 2023 , Edited by admin on Sat Dec 16 18:17:37 GMT 2023
PRIMARY
SMS_ID
300000028888
Created by admin on Sat Dec 16 18:17:37 GMT 2023 , Edited by admin on Sat Dec 16 18:17:37 GMT 2023
PRIMARY