Catadegbrutinib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H54N12O4
Molecular Weight	851.0097
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](NC(=O)C1=NC(=NO1)C(C)(C)C)C2=CC=C(C=C2C)C3=C4C=C(NC4=NC=N3)C5=CN=C(C=C5)N6CCN(CC7CCN(CC7)C8=CC=C(C=C8)N9CCC(=O)NC9=O)CC6

InChI

InChIKey=ZSOLMVZWDSGPDD-SSEXGKCCSA-N

InChI=1S/C47H54N12O4/c1-29-24-32(6-12-36(29)30(2)51-43(61)44-54-45(55-63-44)47(3,4)5)41-37-25-38(52-42(37)50-28-49-41)33-7-13-39(48-26-33)58-22-20-56(21-23-58)27-31-14-17-57(18-15-31)34-8-10-35(11-9-34)59-19-16-40(60)53-46(59)62/h6-13,24-26,28,30-31H,14-23,27H2,1-5H3,(H,51,61)(H,49,50,52)(H,53,60,62)/t30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C47H54N12O4
Molecular Weight	851.0097
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 `Wed Apr 02 13:26:51 GMT 2025` Edited by `admin` on `Wed Apr 02 13:26:51 GMT 2025`
Record UNII	PF6GPZ4DYT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Catadegbrutinib

Official Name

English

Btk-IN-29

Preferred Name

English

catadegbrutinib [INN]

Common Name

English

3-tert-butyl-N-{(1R)-1-[13-methyl-82,84-dioxo-27H-2(4,6)-pyrrolo[2,3-d]pyrimidina-8(1)-[1,3]diazinana-4(1,4)-piperazina-3(5,2)-pyridina-6(4,1)-piperidina-1(1),7(1,4)-dibenzenaoctaphan-14-yl]ethyl}-1,2,4-oxadiazole-5-carboxamide

Systematic Name

English

1,2,4-Oxadiazole-5-carboxamide, 3-(1,1-dimethylethyl)-N-[(1R)-1-[2-methyl-4-[6-[6-[4-[[1-[4-(tetrahydro-2,4-dioxo-1(2H)-pyrimidinyl)phenyl]-4-piperidinyl]methyl]-1-piperazinyl]-3-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-

Common Name

English

Code System Code Type Description

FDA UNII

PF6GPZ4DYT

Created by admin on Wed Apr 02 13:26:51 GMT 2025 , Edited by admin on Wed Apr 02 13:26:51 GMT 2025

PRIMARY

INN

13463

Created by admin on Wed Apr 02 13:26:51 GMT 2025 , Edited by admin on Wed Apr 02 13:26:51 GMT 2025

PRIMARY

CAS

2736508-60-2

Created by admin on Wed Apr 02 13:26:51 GMT 2025 , Edited by admin on Wed Apr 02 13:26:51 GMT 2025

PRIMARY

PUBCHEM

166521972

Created by admin on Wed Apr 02 13:26:51 GMT 2025 , Edited by admin on Wed Apr 02 13:26:51 GMT 2025

PRIMARY

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