Tirabrutinib Hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H22N6O3.ClH
Molecular Weight	490.942
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC#CC(=O)N1CC[C@H](C1)N2C(=O)N(C3=C(N)N=CN=C23)C4=CC=C(OC5=CC=CC=C5)C=C4

InChI

InChIKey=UQYDCIJFACDXSG-GMUIIQOCSA-N

InChI=1S/C25H22N6O3.ClH/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19;/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);1H/t18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C25H22N6O3
Molecular Weight	454.4806
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 09:41:23 UTC 2023` Edited by `admin` on `Sat Dec 16 09:41:23 UTC 2023`
Record UNII	U374135N48
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tirabrutinib Hydrochloride

Official Name

English

GS-4059 HYDROCHLORIDE

Code

English

Tirabrutinib hydrochloride [WHO-DD]

Common Name

English

8H-Purin-8-one, 6-amino-7,9-dihydro-9-[(3R)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl]-7-(4-phenoxyphenyl)-, hydrochloride (1:1)

Systematic Name

English

ONO-4059 HYDROCHLORIDE

Code

English

TIRABRUTINIB HYDROCHLORIDE [JAN]

Common Name

English

TIRABRUTINIB HYDROCHLORIDE [USAN]

Common Name

English

6-amino-9-[(3R)-1-(but-2-ynoyl)pyrrolidin-3-yl]-7-(4-phenoxyphenyl)-7,9-dihydro-8H-purin-8-one—hydrogen chloride

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

571116