PCI-45752

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H26N6O3
Molecular Weight	458.5123
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=C2C(=NC=N1)N(N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)[C@H](CCCO)CNC(=O)C=C

InChI

InChIKey=IFSZBDPQFKDONK-GOSISDBHSA-N

InChI=1S/C25H26N6O3/c1-2-21(33)27-15-18(7-6-14-32)31-25-22(24(26)28-16-29-25)23(30-31)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18,32H,1,6-7,14-15H2,(H,27,33)(H2,26,28,29)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H26N6O3
Molecular Weight	458.5123
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 15:04:37 GMT 2023` Edited by `admin` on `Sat Dec 16 15:04:37 GMT 2023`
Record UNII	R89W1G0ITW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PCI-45752

Code

English

2-PROPENAMIDE, N-(2-(4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)-5-HYDROXYPENTYL)-, (R)-

Systematic Name

English

N-(2-(4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)-5-HYDROXYPENTYL)-2-PROPENAMIDE, (R)-

Systematic Name

English

IBRUTINIB METABOLITE M34

Common Name

English

JNJ-55499743

Common Name

English

Code System Code Type Description

PUBCHEM

133082586

Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023

PRIMARY

FDA UNII

R89W1G0ITW

Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023

PRIMARY

CAS

1838132-94-7

Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

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IBRUTINIB

PARENT -> METABOLITE

Amount: