RILZABRUTINIB, (E)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H40FN9O3
Molecular Weight	665.7597
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)N2N=C(C3=C2N=CN=C3N)C4=CC=C(OC5=CC=CC=C5)C=C4F)N6CCN(CC6)C7COC7

InChI

InChIKey=LCFFREMLXLZNHE-GBOLQPHISA-N

InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H40FN9O3
Molecular Weight	665.7597
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:09:11 UTC 2023` Edited by `admin` on `Sat Dec 16 09:09:11 UTC 2023`
Record UNII	5G1WE425BI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RILZABRUTINIB, (E)-

Common Name

English

PRN-1008, (E)-

Common Name

English

2-((3R)-2-(4-AMINO-3-(2-FLUORO-4-PHENOXYPHENYL)PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)PIPERDINE-1-CARBONYL)-4-METHYL-4(4-(OXETAN-3-YL)PIPERAZIN-1-YL-(E)-PENT-2-ENENITRILE

Systematic Name

English

PRN1008, (E)-

Code

English

Code System Code Type Description

CAS

1575596-29-0

Created by admin on Sat Dec 16 09:09:11 UTC 2023 , Edited by admin on Sat Dec 16 09:09:11 UTC 2023

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FDA UNII

5G1WE425BI

Created by admin on Sat Dec 16 09:09:11 UTC 2023 , Edited by admin on Sat Dec 16 09:09:11 UTC 2023

PRIMARY

PUBCHEM

73388818

Created by admin on Sat Dec 16 09:09:11 UTC 2023 , Edited by admin on Sat Dec 16 09:09:11 UTC 2023

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