INCB-27598

Details

Stereochemistry	UNKNOWN
Molecular Formula	C17H18N6O
Molecular Weight	322.3644
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1CCC[C@H]1[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=YIOHYHBNMPEYIR-HNFVBEJKSA-N

InChI=1S/C17H18N6O/c18-6-4-14(12-2-1-3-15(12)24)23-9-11(8-22-23)16-13-5-7-19-17(13)21-10-20-16/h5,7-10,12,14-15,24H,1-4H2,(H,19,20,21)/t12?,14-,15?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H18N6O
Molecular Weight	322.3644
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:58:37 GMT 2023` Edited by `admin` on `Sat Dec 16 09:58:37 GMT 2023`
Record UNII	F9V2A7I5VK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INCB-27598

Common Name

English

RUXOLITINIB METABOLITE M18

Common Name

English

1H-PYRAZOLE-1-PROPANENITRILE, .BETA.-(2-HYDROXYCYCLOPENTYL)-4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-, (.BETA.R)-

Common Name

English

Code System Code Type Description

PUBCHEM

73425533

Created by admin on Sat Dec 16 09:58:38 GMT 2023 , Edited by admin on Sat Dec 16 09:58:38 GMT 2023

PRIMARY

FDA UNII

F9V2A7I5VK

Created by admin on Sat Dec 16 09:58:38 GMT 2023 , Edited by admin on Sat Dec 16 09:58:38 GMT 2023

PRIMARY

CAS

1315607-85-2

Created by admin on Sat Dec 16 09:58:38 GMT 2023 , Edited by admin on Sat Dec 16 09:58:38 GMT 2023

PRIMARY

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RUXOLITINIB

PARENT -> METABOLITE ACTIVE