Golidocitinib hemi-ethyl acetate solvate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C25H31N9O2.C4H8O2
Molecular Weight	1067.2506
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Golidocitinib hemi-ethyl acetate solvate

Structure Search

SMILES

CCOC(C)=O.COC1=NN(C)C=C1NC2=NC=CC(=N2)C3=CNC4=C3C=CC=C4NC(=O)[C@@H](C)N5CCN(C)CC5.COC6=NN(C)C=C6NC7=NC=CC(=N7)C8=CNC9=C8C=CC=C9NC(=O)[C@@H](C)N%10CCN(C)CC%10

InChI

InChIKey=ZLKJCHKHIZOEFG-XQAUMGQKSA-N

InChI=1S/2C25H31N9O2.C4H8O2/c2*1-16(34-12-10-32(2)11-13-34)23(35)28-20-7-5-6-17-18(14-27-22(17)20)19-8-9-26-25(29-19)30-21-15-33(3)31-24(21)36-4;1-3-6-4(2)5/h2*5-9,14-16,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30);3H2,1-2H3/t2*16-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C4H8O2
Molecular Weight	88.1051
Charge	0
Count

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

Molecular Formula	C25H31N9O2
Molecular Weight	489.5727
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:23:17 UTC 2023` Edited by `admin` on `Sat Dec 16 14:23:17 UTC 2023`
Record UNII	NS94P621A0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Golidocitinib hemi-ethyl acetate solvate

Common Name

English

(R)-N-(3-(2-((3-METHOXY-1-METHYL-1H-PYRAZOL-4-YL)AMINO)PYRIMIDIN-4-YL)-1H-INDOL-7-YL)-2-(4- METHYLPIPERAZIN-1-YL)PROPANAMIDE HEMI ETHYL ACETATE SOLVATE

Systematic Name

English

AZD-4205 hemi-ethyl acetate solvate

Code

English

AZD4205 hemi-ethyl acetate solvate

Code

English

Acetic acid, ethyl ester, compd. with (αR)-N-[3-[2-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-1H-indol-7-yl]-α,4-dimethyl-1-piperazineacetamide (1:2)

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

763220

Created by admin on Sat Dec 16 14:23:17 UTC 2023 , Edited by admin on Sat Dec 16 14:23:17 UTC 2023

Code System Code Type Description

FDA UNII

NS94P621A0

Created by admin on Sat Dec 16 14:23:17 UTC 2023 , Edited by admin on Sat Dec 16 14:23:17 UTC 2023

PRIMARY

PUBCHEM

163203546

Created by admin on Sat Dec 16 14:23:17 UTC 2023 , Edited by admin on Sat Dec 16 14:23:17 UTC 2023

PRIMARY

CAS

2091135-65-6

Created by admin on Sat Dec 16 14:23:17 UTC 2023 , Edited by admin on Sat Dec 16 14:23:17 UTC 2023

PRIMARY

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