ROCILETINIB HYDROBROMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H28F3N7O3.BrH
Molecular Weight	636.463
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br.COC1=CC(=CC=C1NC2=NC=C(C(NC3=CC(NC(=O)C=C)=CC=C3)=N2)C(F)(F)F)N4CCN(CC4)C(C)=O

InChI

InChIKey=IPKRDUJIGYXXNT-UHFFFAOYSA-N

InChI=1S/C27H28F3N7O3.BrH/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38;/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35);1H

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C27H28F3N7O3
Molecular Weight	555.5515
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 14:49:27 UTC 2023` Edited by `admin` on `Sat Dec 16 14:49:27 UTC 2023`
Record UNII	CV4XAQ7MUV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROCILETINIB HYDROBROMIDE

Official Name

English

CNX-419 HYDROBROMIDE

Code

English

CO-1686 HYDROBROMIDE

Code

English

2-PROPENAMIDE, N-(3-((2-((4-(4-ACETYL-1-PIPERAZINYL)-2-METHOXYPHENYL)AMINO)-5-(TRIFLUOROMETHYL)-4-PYRIMIDINYL)AMINO)PHENYL)-, HYDROBROMIDE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

1446700-26-0

Created by admin on Sat Dec 16 14:49:27 UTC 2023 , Edited by admin on Sat Dec 16 14:49:27 UTC 2023

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SMS_ID

100000163153

Created by admin on Sat Dec 16 14:49:27 UTC 2023 , Edited by admin on Sat Dec 16 14:49:27 UTC 2023

PRIMARY

PUBCHEM

71725151

Created by admin on Sat Dec 16 14:49:27 UTC 2023 , Edited by admin on Sat Dec 16 14:49:27 UTC 2023

PRIMARY

FDA UNII

CV4XAQ7MUV

Created by admin on Sat Dec 16 14:49:27 UTC 2023 , Edited by admin on Sat Dec 16 14:49:27 UTC 2023

PRIMARY

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