TRETHINIUM TOSILATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H18N.C7H7O3S
Molecular Weight	347.472
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRETHINIUM TOSILATE

Structure Search

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+]2(C)CCC3=C(C2)C=CC=C3

InChI

InChIKey=HIONZHUOISVAJK-UHFFFAOYSA-M

InChI=1S/C12H18N.C7H8O3S/c1-3-13(2)9-8-11-6-4-5-7-12(11)10-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3,8-10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C12H18N
Molecular Weight	176.278
Charge	1
Count

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

Molecular Formula	C7H7O3S
Molecular Weight	171.194
Charge	-1
Count

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

Description
Sources: Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 521, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ | Ware, G.W. (2012) Reviews of Environmental Contamination and Toxicology, retrieved from: https://books.google.ru/books?id=QfExBwAAQBAJ | List, P.H., Hörhammer, L. (2013) Chemikalien und Drogen Teil C: T–Z, page 225, retrieved from: https://books.google.ru/books?id=t4qfBgAAQBAJ

Trethinium is tetrahydroisoquinoline derivative. It is an antihypertensive agent.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:41:48 GMT 2023` Edited by `admin` on `Fri Dec 15 15:41:48 GMT 2023`
Record UNII	3HA6AVV4EI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRETHINIUM TOSILATE

Official Name

English

TRETHINIUM TOSYLATE

Common Name

English

trethinium tosilate [INN]

Common Name

English

ISOQUINOLINIUM, 2-ETHYL-1,2,3,4-TETRAHYDRO-2-METHYL-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C270

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

Code System Code Type Description

ECHA (EC/EINECS)

217-133-7

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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FDA UNII

3HA6AVV4EI

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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INN

1719

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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PUBCHEM

71514

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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EPA CompTox

DTXSID30938584

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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SMS_ID

100000077487

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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CAS

1748-43-2

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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EVMPD

SUB11244MIG

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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NCI_THESAURUS

C66627

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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ChEMBL

CHEMBL2111053

Created by admin on Fri Dec 15 15:41:48 GMT 2023 , Edited by admin on Fri Dec 15 15:41:48 GMT 2023

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