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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H41FN4O4S2.ClH
Molecular Weight 689.303
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-3409 HYDROCHLORIDE

SMILES

Cl.CSCC[C@H](NC(=O)C1=CC(NC[C@@H]2C[C@@H](CN2)SC(=O)C3=CN=CC=C3)=CC=C1CCC4=CC=C(F)C=C4)C(=O)OC(C)C

InChI

InChIKey=RRIWFOYZPGRUHD-VUCBQXEDSA-N
InChI=1S/C34H41FN4O4S2.ClH/c1-22(2)43-33(41)31(14-16-44-3)39-32(40)30-18-27(13-10-24(30)9-6-23-7-11-26(35)12-8-23)37-20-28-17-29(21-38-28)45-34(42)25-5-4-15-36-19-25;/h4-5,7-8,10-13,15,18-19,22,28-29,31,37-38H,6,9,14,16-17,20-21H2,1-3H3,(H,39,40);1H/t28-,29-,31-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C34H41FN4O4S2
Molecular Weight 652.842
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:25 GMT 2023
Edited
by admin
on Fri Dec 15 15:56:25 GMT 2023
Record UNII
G0KR6A1E0M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-3409 HYDROCHLORIDE
Code English
L-METHIONINE, N-(2-(2-(4-FLUOROPHENYL)ETHYL)-5-((((2S,4S)-4-((3-PYRIDINYLCARBONYL)THIO)-2-PYRROLIDINYL)METHYL)AMINO)BENZOYL)-, 1-METHYLETHYL ESTER, MONOHYDROCHLORIDE
Common Name English
ISOPROPYL N-(2-(2-(4-FLUOROPHENYL)ETHYL)-5-((((2S,4S)-4-((PYRIDIN-3-YLCARBONYL)THIO)PYRROLIDIN-2-YL)METHYL)AMINO)BENZOYL)-L-METHIONINATE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
G0KR6A1E0M
Created by admin on Fri Dec 15 15:56:25 GMT 2023 , Edited by admin on Fri Dec 15 15:56:25 GMT 2023
PRIMARY
SMS_ID
300000043942
Created by admin on Fri Dec 15 15:56:25 GMT 2023 , Edited by admin on Fri Dec 15 15:56:25 GMT 2023
PRIMARY
PUBCHEM
162623593
Created by admin on Fri Dec 15 15:56:25 GMT 2023 , Edited by admin on Fri Dec 15 15:56:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE