5H-BENZO(B)CARBAZOLE-3-CARBONITRILE, 9-ETHYL-6,11-DIHYDRO-8-(4-((2-HYDROXYETHYL)AMINO)-1-PIPERIDINYL)-6,6-DIMETHYL-11-OXO-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H32N4O2
Molecular Weight	456.5793
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5H-BENZO(B)CARBAZOLE-3-CARBONITRILE, 9-ETHYL-6,11-DIHYDRO-8-(4-((2-HYDROXYETHYL)AMINO)-1-PIPERIDINYL)-6,6-DIMETHYL-11-OXO-

Structure Search

SMILES

CCC1=C(C=C2C(=C1)C(=O)C3=C(NC4=C3C=CC(=C4)C#N)C2(C)C)N5CCC(CC5)NCCO

InChI

InChIKey=XNKBNGIKXNABDO-UHFFFAOYSA-N

InChI=1S/C28H32N4O2/c1-4-18-14-21-22(15-24(18)32-10-7-19(8-11-32)30-9-12-33)28(2,3)27-25(26(21)34)20-6-5-17(16-29)13-23(20)31-27/h5-6,13-15,19,30-31,33H,4,7-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C28H32N4O2
Molecular Weight	456.5793
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 13:56:30 UTC 2023` Edited by `admin` on `Sat Dec 16 13:56:30 UTC 2023`
Record UNII	6L7WLR552I
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5H-BENZO(B)CARBAZOLE-3-CARBONITRILE, 9-ETHYL-6,11-DIHYDRO-8-(4-((2-HYDROXYETHYL)AMINO)-1-PIPERIDINYL)-6,6-DIMETHYL-11-OXO-

Systematic Name

English

9-ETHYL-6,11-DIHYDRO-8-(4-((2-HYDROXYETHYL)AMINO)-1-PIPERIDINYL)-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOLE-3-CARBONITRILE

Systematic Name

English

ALCETINIB METABOLITE M4

Common Name

English

Code System Code Type Description

PUBCHEM

66835300

Created by admin on Sat Dec 16 13:56:30 UTC 2023 , Edited by admin on Sat Dec 16 13:56:30 UTC 2023

PRIMARY

FDA UNII

6L7WLR552I

Created by admin on Sat Dec 16 13:56:30 UTC 2023 , Edited by admin on Sat Dec 16 13:56:30 UTC 2023

PRIMARY

CAS

1256585-04-2

Created by admin on Sat Dec 16 13:56:30 UTC 2023 , Edited by admin on Sat Dec 16 13:56:30 UTC 2023

PRIMARY

Related Record Type Details


					Y6HQW2M2JG

PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					4M56WLI1MN

ANAPLASTIC LYMPHOMA KINASE

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Related Record Type Details


					LIJ4CT1Z3Y

ALECTINIB

PARENT -> METABOLITE ACTIVE

Interaction Type:

MAJOR

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC