MEOBENTINE SULFATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C11H17N3O.H2O4S
Molecular Weight	512.623
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of MEOBENTINE SULFATE

Structure Search

SMILES

OS(O)(=O)=O.CNC(NCC1=CC=C(OC)C=C1)=NC.CNC(NCC2=CC=C(OC)C=C2)=NC

InChI

InChIKey=LVEGWDSAJVVBHT-UHFFFAOYSA-N

InChI=1S/2C11H17N3O.H2O4S/c2*1-12-11(13-2)14-8-9-4-6-10(15-3)7-5-9;1-5(2,3)4/h2*4-7H,8H2,1-3H3,(H2,12,13,14);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

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

Molecular Formula	C11H17N3O
Molecular Weight	207.2722
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 16:44:48 UTC 2023` Edited by `admin` on `Fri Dec 15 16:44:48 UTC 2023`
Record UNII	D6BKO039M0
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MEOBENTINE SULFATE

Official Name

English

MEOBENTINE SULFATE [MI]

Common Name

English

GUANIDINE, N-((4-METHOXYPHENYL)METHYL)-N',N''-DIMETHYL-, SULPHATE (2:1)

Systematic Name

English

MEOBENTINE SULPHATE

Common Name

English

1-(P-METHOXYBENZYL)-2,3-DIMETHYLGUANIDINE SULPHATE (2:1)

Common Name

English

GUANIDINE, N-((4-METHOXYPHENYL)METHYL)-N',N''-DIMETHYL-, SULFATE (2:1)

Systematic Name

English

1-(P-METHOXYBENZYL)-2,3-DIMETHYLGUANIDINE SULFATE (2:1)

Common Name

English

MEOBENTINE SULFATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47793

Created by admin on Fri Dec 15 16:44:48 UTC 2023 , Edited by admin on Fri Dec 15 16:44:48 UTC 2023

Code System Code Type Description

MERCK INDEX

m7181

Created by admin on Fri Dec 15 16:44:48 UTC 2023 , Edited by admin on Fri Dec 15 16:44:48 UTC 2023

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Merck Index

PUBCHEM

42764

Created by admin on Fri Dec 15 16:44:48 UTC 2023 , Edited by admin on Fri Dec 15 16:44:48 UTC 2023

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MESH

C032896

Created by admin on Fri Dec 15 16:44:48 UTC 2023 , Edited by admin on Fri Dec 15 16:44:48 UTC 2023

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EPA CompTox

DTXSID10207225

Created by admin on Fri Dec 15 16:44:48 UTC 2023 , Edited by admin on Fri Dec 15 16:44:48 UTC 2023

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CAS

58503-79-0

Created by admin on Fri Dec 15 16:44:48 UTC 2023 , Edited by admin on Fri Dec 15 16:44:48 UTC 2023

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ChEMBL

CHEMBL2110972

Created by admin on Fri Dec 15 16:44:48 UTC 2023 , Edited by admin on Fri Dec 15 16:44:48 UTC 2023

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NCI_THESAURUS

C90664

Created by admin on Fri Dec 15 16:44:48 UTC 2023 , Edited by admin on Fri Dec 15 16:44:48 UTC 2023

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FDA UNII

D6BKO039M0

Created by admin on Fri Dec 15 16:44:48 UTC 2023 , Edited by admin on Fri Dec 15 16:44:48 UTC 2023

PRIMARY

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