CERITINIB DIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H36ClN5O3S.2ClH
Molecular Weight	631.057
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.CC(C)OC1=CC(C2CCNCC2)=C(C)C=C1NC3=NC=C(Cl)C(NC4=CC=CC=C4S(=O)(=O)C(C)C)=N3

InChI

InChIKey=WNCJOPLFICTLPT-UHFFFAOYSA-N

InChI=1S/C28H36ClN5O3S.2ClH/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4;;/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34);2*1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C28H36ClN5O3S
Molecular Weight	558.135
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 08:37:07 UTC 2023` Edited by `admin` on `Sat Dec 16 08:37:07 UTC 2023`
Record UNII	08381UU98P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CERITINIB DIHYDROCHLORIDE

Common Name

English

2,4-PYRIMIDINEDIAMINE, 5-CHLORO-N4-(2-((1-METHYLETHYL)SULFONYL)PHENYL)-N2-(5-METHYL-2-(1-METHYLETHOXY)-4-(4-PIPERIDINYL)PHENYL)-, HYDROCHLORIDE (1:2)

Systematic Name

English

LDK-378 HYDROCHLORIDE

Code

English

Code System Code Type Description

CAS

1380575-43-8

Created by admin on Sat Dec 16 08:37:07 UTC 2023 , Edited by admin on Sat Dec 16 08:37:07 UTC 2023

PRIMARY

PUBCHEM

67973512

Created by admin on Sat Dec 16 08:37:07 UTC 2023 , Edited by admin on Sat Dec 16 08:37:07 UTC 2023

PRIMARY

CAS

1190399-48-4

Created by admin on Sat Dec 16 08:37:07 UTC 2023 , Edited by admin on Sat Dec 16 08:37:07 UTC 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

08381UU98P

Created by admin on Sat Dec 16 08:37:07 UTC 2023 , Edited by admin on Sat Dec 16 08:37:07 UTC 2023

PRIMARY

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