8-(4-(2-ACETONYLOXYETHYLAMINO)-1-PIPERIDYL)-9-ETHYL-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOLE-3-CARBONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H36N4O3
Molecular Weight	512.6425
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(4-(2-ACETONYLOXYETHYLAMINO)-1-PIPERIDYL)-9-ETHYL-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOLE-3-CARBONITRILE

Structure Search

SMILES

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

InChI

InChIKey=TWWRRNYNWHJJII-UHFFFAOYSA-N

InChI=1S/C31H36N4O3/c1-5-21-15-24-25(16-27(21)35-11-8-22(9-12-35)33-10-13-38-18-19(2)36)31(3,4)30-28(29(24)37)23-7-6-20(17-32)14-26(23)34-30/h6-7,14-16,22,33-34H,5,8-13,18H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C31H36N4O3
Molecular Weight	512.6425
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 13:55:57 GMT 2023` Edited by `admin` on `Sat Dec 16 13:55:57 GMT 2023`
Record UNII	P6KVL3K68W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-(4-(2-ACETONYLOXYETHYLAMINO)-1-PIPERIDYL)-9-ETHYL-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOLE-3-CARBONITRILE

Systematic Name

English

ALECTINIB METABOLITE M1A

Common Name

English

Code System Code Type Description

FDA UNII

P6KVL3K68W

Created by admin on Sat Dec 16 13:55:57 GMT 2023 , Edited by admin on Sat Dec 16 13:55:57 GMT 2023

PRIMARY

PUBCHEM

156596871

Created by admin on Sat Dec 16 13:55:57 GMT 2023 , Edited by admin on Sat Dec 16 13:55:57 GMT 2023

PRIMARY

Related Record Type Details


					LIJ4CT1Z3Y

ALECTINIB

PARENT -> METABOLITE

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount: