CHLORPHENOCTIUM AMSONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H28Cl2NO.C14H13N2O6S2
Molecular Weight	702.709
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCC[N+](C)(C)COC1=CC=C(Cl)C=C1Cl.NC2=CC=C(\C=C\C3=CC=C(N)C=C3S([O-])(=O)=O)C(=C2)S(O)(=O)=O

InChI

InChIKey=GQCIBLGQUDFKGX-WLHGVMLRSA-M

InChI=1S/C17H28Cl2NO.C14H14N2O6S2/c1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h10-11,13H,4-9,12,14H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/q+1;/p-1/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C17H28Cl2NO
Molecular Weight	333.316
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C14H13N2O6S2
Molecular Weight	369.393
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Description
Sources: http://appft1.uspto.gov/netacgi/nph-Parser?Sect1=PTO1&Sect2=HITOFF&d=PG01&p=1&u=/netahtml/PTO/srchnum.html&r=1&f=G&l=50&s1=%2720070202177%27.PGNR.&OS=DN/20070202177&RS=DN/20070202177

Chlorphenoctium is amsonic acid salt with potent long-lasting antimicrobial activity

Originator

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:32:53 GMT 2023` Edited by `admin` on `Fri Dec 15 16:32:53 GMT 2023`
Record UNII	BJ1N2V028P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLORPHENOCTIUM AMSONATE

Official Name

English

1-OCTANAMINIUM, N-((2,4-DICHLOROPHENOXY)METHYL)-N,N-DIMETHYL-, 2,2'-(1,2-ETHENEDIYL)BIS(5-AMINOBENZENESULFONATE) (1:1)

Common Name

English

((2,4-DICHLOROPHENOXY)METHYL)DIMETHYL-N-OCTYLAMMONIUM AMSONATE

Common Name

English

chlorphenoctium amsonate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28394