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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24ClN3O2S
Molecular Weight 429.963
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZALANSTAT

SMILES

NC1=CC=C(SC[C@@H]2CO[C@](CCC3=CC=C(Cl)C=C3)(CN4C=CN=C4)O2)C=C1

InChI

InChIKey=VYNIUBZKEWJOJP-UNMCSNQZSA-N
InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H24ClN3O2S
Molecular Weight 429.963
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 17:03:56 UTC 2023
Edited
by admin
on Sat Dec 16 17:03:56 UTC 2023
Record UNII
2NL79NI1WS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZALANSTAT
INN  
INN  
Official Name English
BENZENAMINE, 4-(((2-(2-(4-CHLOROPHENYL)ETHYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL)THIO)-, (2S-CIS)-
Common Name English
1-(((2S,4S)-4-(((P-AMINOPHENYL)THIO)METHYL)-2-(P-CHLOROPHENETHYL)-1,3-DIOXOLAN-2-YL)METHYL)IMIDAZOLE
Common Name English
azalanstat [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29703
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
Code System Code Type Description
MESH
C082410
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
WIKIPEDIA
AZALANSTAT
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID401029427
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
EVMPD
SUB05630MIG
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
INN
7373
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
PUBCHEM
60876
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
SMS_ID
100000086908
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
ChEMBL
CHEMBL70611
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
NCI_THESAURUS
C79817
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
FDA UNII
2NL79NI1WS
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
CAS
143393-27-5
Created by admin on Sat Dec 16 17:03:57 UTC 2023 , Edited by admin on Sat Dec 16 17:03:57 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY