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Details

Stereochemistry RACEMIC
Molecular Formula C20H17N9
Molecular Weight 383.4093
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROPSACITINIB

SMILES

CN1C=C(C=N1)C2=CN3N=CC=C3C(=N2)C4=CN(N=C4)[C@@]5(CC#N)C[C@@H](C5)C#N

InChI

InChIKey=XPLZTJWZDBFWDE-OYOVHJISSA-N
InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-

HIDE SMILES / InChI

Molecular Formula C20H17N9
Molecular Weight 383.4093
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:29:05 UTC 2023
Edited
by admin
on Thu Jul 06 19:29:05 UTC 2023
Record UNII
HY5SOV7O0Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROPSACITINIB
USAN   INN  
Official Name English
ropsacitinib [INN]
Common Name English
CYCLOBUTANEACETONITRILE, 3-CYANO-1-(4-(6-(1-METHYL-1H-PYRAZOL-4- YL)PYRAZOLO(1,5-A)PYRAZIN-4-YL)-1H-PYRAZOL-1-YL)-, TRANS-
Systematic Name English
PF-06826647
Code English
ROPSACITINIB [USAN]
Common Name English
TRANS-3-CYANO-1-(4-(6-(1-METHYL-1H-PYRAZOL-4-YL)PYRAZOLO(1,5-A)PYRAZIN-4-YL)- 1H-PYRAZOL-1-YL)-CYCLOBUTANEACETONITRILE
Systematic Name English
Code System Code Type Description
USAN
HI-189
Created by admin on Thu Jul 06 19:29:05 UTC 2023 , Edited by admin on Thu Jul 06 19:29:05 UTC 2023
PRIMARY
SMS_ID
300000033907
Created by admin on Thu Jul 06 19:29:05 UTC 2023 , Edited by admin on Thu Jul 06 19:29:05 UTC 2023
PRIMARY
NCI_THESAURUS
C180657
Created by admin on Thu Jul 06 19:29:05 UTC 2023 , Edited by admin on Thu Jul 06 19:29:05 UTC 2023
PRIMARY
FDA UNII
HY5SOV7O0Q
Created by admin on Thu Jul 06 19:29:05 UTC 2023 , Edited by admin on Thu Jul 06 19:29:05 UTC 2023
PRIMARY
CAS
2127109-84-4
Created by admin on Thu Jul 06 19:29:05 UTC 2023 , Edited by admin on Thu Jul 06 19:29:05 UTC 2023
PRIMARY
INN
11834
Created by admin on Thu Jul 06 19:29:05 UTC 2023 , Edited by admin on Thu Jul 06 19:29:05 UTC 2023
PRIMARY
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