DEURUXOLITINIB PHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H18N6.H3O4P
Molecular Weight	412.4095
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.[2H]C1([2H])C([C@@H](CC#N)N2C=C(C=N2)C3=NC=NC4=C3C=CN4)C([2H])([2H])C([2H])([2H])C1([2H])[2H]

InChI

InChIKey=JFMWPOCYMYGEDM-NTVOUFPTSA-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-;/m1./s1/i1D2,2D2,3D2,4D2;

HIDE SMILES / InChI

Molecular Formula	C17H18N6
Molecular Weight	314.4143
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 `Sat Dec 16 18:17:37 GMT 2023` Edited by `admin` on `Sat Dec 16 18:17:37 GMT 2023`
Record UNII	8VJ43S4LCM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEURUXOLITINIB PHOSPHATE

Official Name

English

DEURUXOLITINIB PHOSPHATE [USAN]

Common Name

English

CTP-543 PHOSPHATE

Code

English

1H-PYRAZOLE-1-PROPANENITRILE, .BETA.-(CYCLOPENTYL-2,2,3,3,4,4,5,5-D8)-4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-, (.BETA.R)-, PHOSPHATE

Common Name

English

(3R)-3-(2,2,3,3,4,4,5,5-D8)CYCLOPENTYL-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)PROPANENITRILE PHOSPHATE (1:1)

Systematic Name

English

D8-RUXOLITINIB PHOSPHATE

Common Name

English

C-21543 PHOSPHATE

Code

English

Code System Code Type Description

NCI_THESAURUS

C175771