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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H30N2.2C6H5O3S
Molecular Weight 516.714
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOHEXONIUM

SMILES

[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C2=CC=CC=C2.C[N+](C)(C)CCCCCC[N+](C)(C)C

InChI

InChIKey=KQHXGIXCFWNHSW-UHFFFAOYSA-L
InChI=1S/C12H30N2.2C6H6O3S/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*7-10(8,9)6-4-2-1-3-5-6/h7-12H2,1-6H3;2*1-5H,(H,7,8,9)/q+2;;/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZOHEXONIUM
Common Name English
1,6-HEXANEDIAMINIUM, N1,N1,N1,N6,N6,N6-HEXAMETHYL-, BENZENESULFONATE (1:2)
Systematic Name English
HEXAMETHONIUM BESYLATE
Common Name English
HEXAMETHONIUM BENZOSULFONATE
Common Name English
Code System Code Type Description
PUBCHEM
13776
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
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SMS_ID
100000127620
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
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EVMPD
SUB33677
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
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EPA CompTox
DTXSID60242702
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
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CAS
971-60-8
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
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WIKIPEDIA
Benzohexonium
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
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FDA UNII
V26UVZ0360
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
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