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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18N6
Molecular Weight 306.365
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ruxolitinib, S-

SMILES

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

InChI

InChIKey=HFNKQEVNSGCOJV-HNNXBMFYSA-N
InChI=1S/C17H18N6/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)/t15-/m0/s1

HIDE SMILES / InChI

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 20:23:19 GMT 2023
Edited
by admin
on Sat Dec 16 20:23:19 GMT 2023
Record UNII
WVA83G6MCW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ruxolitinib, S-
Common Name English
1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (βS)
Systematic Name English
INCB-18424
Code English
(βS)-β-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile
Systematic Name English
(3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Systematic Name English
(3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
Systematic Name English
S-Ruxolitinib
Common Name English
Code System Code Type Description
FDA UNII
WVA83G6MCW
Created by admin on Sat Dec 16 20:23:19 GMT 2023 , Edited by admin on Sat Dec 16 20:23:19 GMT 2023
PRIMARY
CAS
1160597-27-2
Created by admin on Sat Dec 16 20:23:19 GMT 2023 , Edited by admin on Sat Dec 16 20:23:19 GMT 2023
SUPERSEDED
CAS
941685-37-6
Created by admin on Sat Dec 16 20:23:19 GMT 2023 , Edited by admin on Sat Dec 16 20:23:19 GMT 2023
PRIMARY
PUBCHEM
50878566
Created by admin on Sat Dec 16 20:23:19 GMT 2023 , Edited by admin on Sat Dec 16 20:23:19 GMT 2023
PRIMARY
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