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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18N6.ClH
Molecular Weight 342.826
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ruxolitinib hydrochloride

SMILES

Cl.N#CC[C@H](C1CCCC1)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=ZYSGMFZLLDZEBY-XFULWGLBSA-N
InChI=1S/C17H18N6.ClH/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;/h6,8-12,15H,1-5H2,(H,19,20,21);1H/t15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H18N6
Molecular Weight 306.365
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:00:22 UTC 2023
Edited
by admin
on Sat Dec 16 20:00:22 UTC 2023
Record UNII
66PU47MT2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ruxolitinib hydrochloride
Common Name English
1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, hydrochloride (1:1), (βR)-
Systematic Name English
Code System Code Type Description
CAS
1912373-07-9
Created by admin on Sat Dec 16 20:00:22 UTC 2023 , Edited by admin on Sat Dec 16 20:00:22 UTC 2023
PRIMARY
FDA UNII
66PU47MT2N
Created by admin on Sat Dec 16 20:00:22 UTC 2023 , Edited by admin on Sat Dec 16 20:00:22 UTC 2023
PRIMARY
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