U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C45H48ClF3N4O7S3
Molecular Weight 945.528
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-4320

SMILES

CN(CCO)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)[C@@H](O)C5=C(C=CC=C5)C6=CC=C(Cl)C=C6)S(=O)(=O)C(F)(F)F

InChI

InChIKey=UNEJSHNDABUZNY-UJNHCCGESA-N
InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1

HIDE SMILES / InChI

Molecular Formula C45H48ClF3N4O7S3
Molecular Weight 945.528
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:05:48 GMT 2023
Edited
by admin
on Sat Dec 16 15:05:48 GMT 2023
Record UNII
LH1ZTY91OR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-4320
Code English
BENZAMIDE, 4-(4-((R)-(4'-CHLORO(1,1'-BIPHENYL)-2-YL)HYDROXYMETHYL)-1-PIPERIDINYL)-N-((4-(((1R)-3-((2-HYDROXYETHYL)METHYLAMINO)-1-((PHENYLTHIO)METHYL)PROPYL)AMINO)-3-((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)-
Systematic Name English
4-(4-((R)-(4'-CHLORO(1,1'-BIPHENYL)-2-YL)HYDROXYMETHYL)-1-PIPERIDINYL)-N-((4-(((1R)-3-((2-HYDROXYETHYL)METHYLAMINO)-1-((PHENYLTHIO)METHYL)PROPYL)AMINO)-3-((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)BENZAMIDE
Systematic Name English
AZD4320
Code English
Code System Code Type Description
FDA UNII
LH1ZTY91OR
Created by admin on Sat Dec 16 15:05:48 GMT 2023 , Edited by admin on Sat Dec 16 15:05:48 GMT 2023
PRIMARY
PUBCHEM
86661883
Created by admin on Sat Dec 16 15:05:48 GMT 2023 , Edited by admin on Sat Dec 16 15:05:48 GMT 2023
PRIMARY
CAS
1357576-48-7
Created by admin on Sat Dec 16 15:05:48 GMT 2023 , Edited by admin on Sat Dec 16 15:05:48 GMT 2023
PRIMARY