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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H15N3O4S3.ClH
Molecular Weight 361.889
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AL-4414A

SMILES

Cl.CCN[C@H]1CN(C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O

InChI

InChIKey=BELOEEORMUUKLM-FJXQXJEOSA-N
InChI=1S/C9H15N3O4S3.ClH/c1-3-11-7-5-12(2)19(15,16)9-6(7)4-8(17-9)18(10,13)14;/h4,7,11H,3,5H2,1-2H3,(H2,10,13,14);1H/t7-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C9H15N3O4S3
Molecular Weight 325.428
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 Fri Dec 15 15:40:46 GMT 2023
Edited
by admin
on Fri Dec 15 15:40:46 GMT 2023
Record UNII
IIH4XRT7DM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AL-4414A
Code English
2H-THIENO(3,2-E)-1,2-THIAZINE-6-SULFONAMIDE, 4-(ETHYLAMINO)-3,4-DIHYDRO-2-METHYL-, 1,1-DIOXIDE, HYDROCHLORIDE (1:1), (4R)-
Systematic Name English
AL-4414A, (+)-
Code English
Code System Code Type Description
PUBCHEM
10021512
Created by admin on Fri Dec 15 15:40:46 GMT 2023 , Edited by admin on Fri Dec 15 15:40:46 GMT 2023
PRIMARY
FDA UNII
IIH4XRT7DM
Created by admin on Fri Dec 15 15:40:46 GMT 2023 , Edited by admin on Fri Dec 15 15:40:46 GMT 2023
PRIMARY
CAS
138890-75-2
Created by admin on Fri Dec 15 15:40:46 GMT 2023 , Edited by admin on Fri Dec 15 15:40:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE