2-((1-(3-CYANO-9-ETHYL-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOL-8-YL)-4-PIPERIDYL)-(2-HYDROXYETHYL)AMINO)ACETIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H34N4O4
Molecular Weight	514.6154
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((1-(3-CYANO-9-ETHYL-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOL-8-YL)-4-PIPERIDYL)-(2-HYDROXYETHYL)AMINO)ACETIC ACID

Structure Search

SMILES

CCC1=CC2=C(C=C1N3CCC(CC3)N(CCO)CC(O)=O)C(C)(C)C4=C(C5=C(N4)C=C(C=C5)C#N)C2=O

InChI

InChIKey=PNXDEELQCBXHFV-UHFFFAOYSA-N

InChI=1S/C30H34N4O4/c1-4-19-14-22-23(15-25(19)33-9-7-20(8-10-33)34(11-12-35)17-26(36)37)30(2,3)29-27(28(22)38)21-6-5-18(16-31)13-24(21)32-29/h5-6,13-15,20,32,35H,4,7-12,17H2,1-3H3,(H,36,37)

HIDE SMILES / InChI

Molecular Formula	C30H34N4O4
Molecular Weight	514.6154
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 `Tue Apr 01 20:53:21 GMT 2025` Edited by `admin` on `Tue Apr 01 20:53:21 GMT 2025`
Record UNII	83XL789LVX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALECTINIB METABOLITE M1B

Preferred Name

English

2-((1-(3-CYANO-9-ETHYL-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOL-8-YL)-4-PIPERIDYL)-(2-HYDROXYETHYL)AMINO)ACETIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

83XL789LVX

Created by admin on Tue Apr 01 20:53:21 GMT 2025 , Edited by admin on Tue Apr 01 20:53:21 GMT 2025

PRIMARY

PUBCHEM

156596621

Created by admin on Tue Apr 01 20:53:21 GMT 2025 , Edited by admin on Tue Apr 01 20:53:21 GMT 2025

PRIMARY

Related Record Type Details


					LIJ4CT1Z3Y

ALECTINIB

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

PLASMA

Amount: