SQ-11447 TOSYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H21N3OS.C7H8O3S
Molecular Weight	439.592
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CNC(=O)NC2=C(SCCCN(C)C)C=CC=C2

InChI

InChIKey=SUTYKZJCQALNSC-UHFFFAOYSA-N

InChI=1S/C13H21N3OS.C7H8O3S/c1-14-13(17)15-11-7-4-5-8-12(11)18-10-6-9-16(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7-8H,6,9-10H2,1-3H3,(H2,14,15,17);2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

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

Molecular Formula	C13H21N3OS
Molecular Weight	267.39
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 `Fri Dec 15 15:24:13 GMT 2023` Edited by `admin` on `Fri Dec 15 15:24:13 GMT 2023`
Record UNII	UE7FNP7HE8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SQ-11447 TOSYLATE

Code

English

UREA, N-(2-((3-(DIMETHYLAMINO)PROPYL)THIO)PHENYL)-N'-METHYL-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

UE7FNP7HE8

Created by admin on Fri Dec 15 15:24:13 GMT 2023 , Edited by admin on Fri Dec 15 15:24:13 GMT 2023

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CAS

35090-32-5

Created by admin on Fri Dec 15 15:24:13 GMT 2023 , Edited by admin on Fri Dec 15 15:24:13 GMT 2023

NON-SPECIFIC STOICHIOMETRY

CAS

35100-43-7

Created by admin on Fri Dec 15 15:24:13 GMT 2023 , Edited by admin on Fri Dec 15 15:24:13 GMT 2023

PRIMARY

PUBCHEM

133082727

Created by admin on Fri Dec 15 15:24:13 GMT 2023 , Edited by admin on Fri Dec 15 15:24:13 GMT 2023

PRIMARY

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SQ-11447

PARENT -> SALT/SOLVATE