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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

SMILES

CCC1=C(C=C2C(=C1)C(=O)C3=C(NC4=C3C=CC(=C4)C#N)C2(C)C)N5CCC(CC5)N(CCO)CC(O)=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 Sat Dec 16 13:33:25 UTC 2023
Edited
by admin
on Sat Dec 16 13:33:25 UTC 2023
Record UNII
83XL789LVX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
ALECTINIB METABOLITE M1B
Common Name English
Code System Code Type Description
FDA UNII
83XL789LVX
Created by admin on Sat Dec 16 13:33:26 UTC 2023 , Edited by admin on Sat Dec 16 13:33:26 UTC 2023
PRIMARY
PUBCHEM
156596621
Created by admin on Sat Dec 16 13:33:26 UTC 2023 , Edited by admin on Sat Dec 16 13:33:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA