ROPSACITINIB

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H17N9
Molecular Weight	383.41
Optical Activity	( + / - )
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cn1cc(cn1)-c2cn3c(ccn3)c(-c4cnn(c4)[C@@]5(CC#N)C[C@@]([H])(C5)C#N)n2

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	383.41
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Jun 26 00:01:22 UTC 2021` Edited by `admin` on `Sat Jun 26 00:01:22 UTC 2021`
Record UNII	HY5SOV7O0Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROPSACITINIB

Official 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

FDA UNII

HY5SOV7O0Q

Created by admin on Sat Jun 26 00:01:22 UTC 2021 , Edited by admin on Sat Jun 26 00:01:22 UTC 2021

PRIMARY

CAS

2127109-84-4

Created by admin on Sat Jun 26 00:01:22 UTC 2021 , Edited by admin on Sat Jun 26 00:01:22 UTC 2021

PRIMARY

INN

11834

Created by admin on Sat Jun 26 00:01:22 UTC 2021 , Edited by admin on Sat Jun 26 00:01:22 UTC 2021

PRIMARY

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					HY5SOV7O0Q

ROPSACITINIB

ACTIVE MOIETY