9-hydroxy-5,11-dimethyl-2-[2-(piperidin-1-yl)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium chloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H28N3O.Cl
Molecular Weight	409.952
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9-hydroxy-5,11-dimethyl-2-[2-(piperidin-1-yl)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium chloride

Structure Search

SMILES

[Cl-].CC1=C2NC3=CC=C(O)C=C3C2=C(C)C4=C[N+](CCN5CCCCC5)=CC=C14

InChI

InChIKey=QQRBMQWRQMDNAN-UHFFFAOYSA-N

InChI=1S/C24H27N3O.ClH/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24;/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

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

Molecular Formula	C24H28N3O
Molecular Weight	374.4986
Charge	1
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
RET G-quadruplex structure 3 Target ID: RET G-quadruplex structure Sources: https://www.ncbi.nlm.nih.gov/pubmed/28498409	Modulator 828

PubMed

Title	Date	PubMed
Demonstration of a potent RET transcriptional inhibitor for the treatment of medullary thyroid carcinoma based on an ellipticine derivative.	2017 Jul	28498409

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:15:16 GMT 2023` Edited by `admin` on `Sat Dec 16 19:15:16 GMT 2023`
Record UNII	BVL2WH454J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-hydroxy-5,11-dimethyl-2-[2-(piperidin-1-yl)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium chloride

Systematic Name

English

6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-5,11-dimethyl-2-[2-(1-piperidinyl)ethyl]-, chloride (1:1)

Systematic Name

English

6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-5,11-dimethyl-2-[2-(1-piperidinyl)ethyl]-, chloride

Systematic Name

English

Code System Code Type Description

PUBCHEM

54760220

Created by admin on Sat Dec 16 19:15:17 GMT 2023 , Edited by admin on Sat Dec 16 19:15:17 GMT 2023

PRIMARY

CAS

109628-38-8

Created by admin on Sat Dec 16 19:15:17 GMT 2023 , Edited by admin on Sat Dec 16 19:15:17 GMT 2023

PRIMARY

FDA UNII

BVL2WH454J

Created by admin on Sat Dec 16 19:15:17 GMT 2023 , Edited by admin on Sat Dec 16 19:15:17 GMT 2023

PRIMARY

Related Record Type Details


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9-hydroxy-5,11-dimethyl-2-[2-(piperidin-1-yl)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium

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