Ruxolitinib phosphate, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H18N6.H3O4P
Molecular Weight	404.3602
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ruxolitinib phosphate, (S)-

Structure Search

SMILES

OP(O)(O)=O.N#CC[C@@H](C1CCCC1)N2C=C(C=N2)C3=NC=NC4=C3C=CN4

InChI

InChIKey=JFMWPOCYMYGEDM-RSAXXLAASA-N

InChI=1S/C17H18N6.H3O4P/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;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/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

Molecular Formula	H3O4P
Molecular Weight	97.9952
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:24:10 GMT 2025` Edited by `admin` on `Wed Apr 02 21:24:10 GMT 2025`
Record UNII	SG32XD66ML
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ruxolitinib phosphate, (S)-

Common Name

English

(3S)-3-Cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; phosphoric acid

Preferred Name

English

Code System Code Type Description

FDA UNII

SG32XD66ML

Created by admin on Wed Apr 02 21:24:10 GMT 2025 , Edited by admin on Wed Apr 02 21:24:10 GMT 2025

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PUBCHEM

60146016

Created by admin on Wed Apr 02 21:24:10 GMT 2025 , Edited by admin on Wed Apr 02 21:24:10 GMT 2025

PRIMARY

CAS

2703484-89-1

Created by admin on Wed Apr 02 21:24:10 GMT 2025 , Edited by admin on Wed Apr 02 21:24:10 GMT 2025

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Ruxolitinib, S-

PARENT -> SALT/SOLVATE

Amount: