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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24Cl2FN5O2
Molecular Weight 492.373
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Unecritinib

SMILES

C[C@@H](OC1=CC(=CN=C1NC(C)=O)C2=CN(N=C2)C3CCNCC3)C4=C(Cl)C(F)=CC=C4Cl

InChI

InChIKey=HBWSXXBJOQKNBL-CYBMUJFWSA-N
InChI=1S/C23H24Cl2FN5O2/c1-13(21-18(24)3-4-19(26)22(21)25)33-20-9-15(10-28-23(20)30-14(2)32)16-11-29-31(12-16)17-5-7-27-8-6-17/h3-4,9-13,17,27H,5-8H2,1-2H3,(H,28,30,32)/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H24Cl2FN5O2
Molecular Weight 492.373
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 19:33:38 GMT 2023
Edited
by admin
on Sat Dec 16 19:33:38 GMT 2023
Record UNII
4T3Z98RR86
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Unecritinib
INN  
Official Name English
N-{3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1- (piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-yl}acetamide
Systematic Name English
TQB3101
Code English
unecritinib [INN]
Common Name English
Acetamide, N-[3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinyl]-
Systematic Name English
TQ-B3101
Code English
Code System Code Type Description
PUBCHEM
71506874
Created by admin on Sat Dec 16 19:33:38 GMT 2023 , Edited by admin on Sat Dec 16 19:33:38 GMT 2023
PRIMARY
SMS_ID
300000046129
Created by admin on Sat Dec 16 19:33:38 GMT 2023 , Edited by admin on Sat Dec 16 19:33:38 GMT 2023
PRIMARY
CAS
1418026-92-2
Created by admin on Sat Dec 16 19:33:38 GMT 2023 , Edited by admin on Sat Dec 16 19:33:38 GMT 2023
PRIMARY
FDA UNII
4T3Z98RR86
Created by admin on Sat Dec 16 19:33:38 GMT 2023 , Edited by admin on Sat Dec 16 19:33:38 GMT 2023
PRIMARY
NCI_THESAURUS
C173430
Created by admin on Sat Dec 16 19:33:38 GMT 2023 , Edited by admin on Sat Dec 16 19:33:38 GMT 2023
PRIMARY
INN
12182
Created by admin on Sat Dec 16 19:33:38 GMT 2023 , Edited by admin on Sat Dec 16 19:33:38 GMT 2023
PRIMARY
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ACTIVE MOIETY