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

Details

Stereochemistry RACEMIC
Molecular Formula C18H28N2O3S
Molecular Weight 352.492
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALMOKALANT

SMILES

CCC[S@@+]([O-])CCCN(CC)C[C@@H](O)COC1=CC=C(C=C1)C#N

InChI

InChIKey=ZMHOBBKJBYLXFR-MZNJEOGPSA-N
InChI=1S/C18H28N2O3S/c1-3-11-24(22)12-5-10-20(4-2)14-17(21)15-23-18-8-6-16(13-19)7-9-18/h6-9,17,21H,3-5,10-12,14-15H2,1-2H3/t17-,24-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALMOKALANT
INN  
INN  
Official Name English
almokalant [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
NCI_THESAURUS C93038
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
Code System Code Type Description
SMS_ID
100000087442
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
EVMPD
SUB05349MIG
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
MESH
C074334
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
FDA UNII
I9NG89L275
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
PUBCHEM
54554626
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID40869693
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
NCI_THESAURUS
C77828
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
WIKIPEDIA
ALMOKALANT
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
ChEMBL
CHEMBL362103
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
CAS
123955-10-2
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY
INN
6651
Created by admin on Fri Dec 15 16:05:52 UTC 2023 , Edited by admin on Fri Dec 15 16:05:52 UTC 2023
PRIMARY