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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H23N7O2
Molecular Weight 441.4851
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-((2S)-1-BUT-2-YNOYLPYRROLIDIN-2-YL)-5-CARBAMIMIDOYL-1H-IMIDAZOL-4-YL)-N-(2-PYRIDYL)BENZAMIDE

SMILES

CC#CC(=O)N1CCC[C@H]1C2=NC(=C(N2)C(N)=N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=N4

InChI

InChIKey=SKTIXIBUDXUIMG-KRWDZBQOSA-N
InChI=1S/C24H23N7O2/c1-2-6-19(32)31-14-5-7-17(31)23-29-20(21(30-23)22(25)26)15-9-11-16(12-10-15)24(33)28-18-8-3-4-13-27-18/h3-4,8-13,17H,5,7,14H2,1H3,(H3,25,26)(H,29,30)(H,27,28,33)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H23N7O2
Molecular Weight 441.4851
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:17:40 GMT 2023
Edited
by admin
on Sat Dec 16 15:17:40 GMT 2023
Record UNII
P4Z8WQ5J5F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-((2S)-1-BUT-2-YNOYLPYRROLIDIN-2-YL)-5-CARBAMIMIDOYL-1H-IMIDAZOL-4-YL)-N-(2-PYRIDYL)BENZAMIDE
Systematic Name English
ACALABRUTINIB METABOLITE M37
Common Name English
Code System Code Type Description
PUBCHEM
146249178
Created by admin on Sat Dec 16 15:17:41 GMT 2023 , Edited by admin on Sat Dec 16 15:17:41 GMT 2023
PRIMARY
FDA UNII
P4Z8WQ5J5F
Created by admin on Sat Dec 16 15:17:41 GMT 2023 , Edited by admin on Sat Dec 16 15:17:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE