TRIMEBUTINE TOSYLATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H29NO5.C7H8O3S
Molecular Weight	559.671
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CCC(COC(=O)C2=CC(OC)=C(OC)C(OC)=C2)(N(C)C)C3=CC=CC=C3

InChI

InChIKey=GFFDXKKSLGNXFJ-UHFFFAOYSA-N

InChI=1S/C22H29NO5.C7H8O3S/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;1-6-2-4-7(5-3-6)11(8,9)10/h8-14H,7,15H2,1-6H3;2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C22H29NO5
Molecular Weight	387.4694
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:53:34 UTC 2023` Edited by `admin` on `Sat Dec 16 14:53:34 UTC 2023`
Record UNII	M62HUT52HM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIMEBUTINE TOSYLATE

Common Name

English

TRIMEBUTINE 4-TOLUENESULFONATE

Common Name

English

BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(DIMETHYLAMINO)-2-PHENYLBUTYL ESTER, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

71737038

Created by admin on Sat Dec 16 14:53:34 UTC 2023 , Edited by admin on Sat Dec 16 14:53:34 UTC 2023

PRIMARY

FDA UNII

M62HUT52HM

Created by admin on Sat Dec 16 14:53:34 UTC 2023 , Edited by admin on Sat Dec 16 14:53:34 UTC 2023

PRIMARY

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