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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H17N4S.Cl
Molecular Weight 272.797
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Hexamethylenetetraminium, 1-(2-thenyl)-, chloride

SMILES

[Cl-].C(C1=CC=CS1)[N+]23CN4CN(CN(C4)C2)C3

InChI

InChIKey=JTQYWCBXUPIISX-UHFFFAOYSA-M
InChI=1S/C11H17N4S.ClH/c1-2-11(16-3-1)4-15-8-12-5-13(9-15)7-14(6-12)10-15;/h1-3H,4-10H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C11H17N4S
Molecular Weight 237.344
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:56:34 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:34 GMT 2023
Record UNII
E99N6YR2UA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Hexamethylenetetraminium, 1-(2-thenyl)-, chloride
Systematic Name English
3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(2-thienylmethyl)-, chloride (1:1)
Systematic Name English
3,5,7-Triaza-1-azoniaadamantane, 1-(2-thienyl)-, chloride
Systematic Name English
NSC-49660
Code English
NSC-30209
Code English
Code System Code Type Description
FDA UNII
E99N6YR2UA
Created by admin on Sat Dec 16 12:56:34 GMT 2023 , Edited by admin on Sat Dec 16 12:56:34 GMT 2023
PRIMARY
NSC
49660
Created by admin on Sat Dec 16 12:56:34 GMT 2023 , Edited by admin on Sat Dec 16 12:56:34 GMT 2023
PRIMARY
CAS
6296-08-8
Created by admin on Sat Dec 16 12:56:34 GMT 2023 , Edited by admin on Sat Dec 16 12:56:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID70978808
Created by admin on Sat Dec 16 12:56:34 GMT 2023 , Edited by admin on Sat Dec 16 12:56:34 GMT 2023
PRIMARY
PUBCHEM
22730
Created by admin on Sat Dec 16 12:56:34 GMT 2023 , Edited by admin on Sat Dec 16 12:56:34 GMT 2023
PRIMARY
NSC
30209
Created by admin on Sat Dec 16 12:56:34 GMT 2023 , Edited by admin on Sat Dec 16 12:56:34 GMT 2023
PRIMARY