RILZABRUTINIB, (Z)-

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-IURUZKCNSA-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 09:35:21 GMT 2023` Edited by `admin` on `Sat Dec 16 09:35:21 GMT 2023`
Record UNII	0975516WHA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RILZABRUTINIB, (Z)-

Common Name

English

PRN-1008, (Z)-

Code

English

1-PIPERIDINEPROPANENITRILE, 3-(4-AMINO-3-(2-FLUORO-4-PHENOXYPHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)-.ALPHA.-(2-METHYL-2-(4-(3-OXETANYL)-1-PIPERAZINYL)PROPYLIDENE)-.BETA.-OXO-, (.ALPHA.Z,3R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90003064

Created by admin on Sat Dec 16 09:35:21 GMT 2023 , Edited by admin on Sat Dec 16 09:35:21 GMT 2023

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FDA UNII

0975516WHA

Created by admin on Sat Dec 16 09:35:21 GMT 2023 , Edited by admin on Sat Dec 16 09:35:21 GMT 2023

PRIMARY

CAS

1575596-30-3

Created by admin on Sat Dec 16 09:35:21 GMT 2023 , Edited by admin on Sat Dec 16 09:35:21 GMT 2023

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