4-(8-AMINO-3-(4-(BUT-2-YNOYLAMINO)BUTANOYL)IMIDAZO(1,5-A)PYRAZIN-1-YL)BENZOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H19N5O4
Molecular Weight	405.4067
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(8-AMINO-3-(4-(BUT-2-YNOYLAMINO)BUTANOYL)IMIDAZO(1,5-A)PYRAZIN-1-YL)BENZOIC ACID

Structure Search

SMILES

CC#CC(=O)NCCCC(=O)C1=NC(=C2N1C=CN=C2N)C3=CC=C(C=C3)C(O)=O

InChI

InChIKey=YGJYXIRSCMPCRV-UHFFFAOYSA-N

InChI=1S/C21H19N5O4/c1-2-4-16(28)23-10-3-5-15(27)20-25-17(18-19(22)24-11-12-26(18)20)13-6-8-14(9-7-13)21(29)30/h6-9,11-12H,3,5,10H2,1H3,(H2,22,24)(H,23,28)(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C21H19N5O4
Molecular Weight	405.4067
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 15:11:50 UTC 2023` Edited by `admin` on `Sat Dec 16 15:11:50 UTC 2023`
Record UNII	3CDZ8MTB7W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(8-AMINO-3-(4-(BUT-2-YNOYLAMINO)BUTANOYL)IMIDAZO(1,5-A)PYRAZIN-1-YL)BENZOIC ACID

Systematic Name

English

ACALABRUTINIB METABOLITE M2

Common Name

English

Code System Code Type Description

FDA UNII

3CDZ8MTB7W

Created by admin on Sat Dec 16 15:11:50 UTC 2023 , Edited by admin on Sat Dec 16 15:11:50 UTC 2023

PRIMARY

PUBCHEM

149353030

Created by admin on Sat Dec 16 15:11:50 UTC 2023 , Edited by admin on Sat Dec 16 15:11:50 UTC 2023

PRIMARY

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ACALABRUTINIB

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