SULFINALOL HYDROCHLORIDE

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NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C20H27NO4S.ClH
Molecular Weight	413.959
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SULFINALOL HYDROCHLORIDE

Structure Search

SMILES

Cl.COC1=CC=C(CCC(C)NCC(O)C2=CC=C(O)C(=C2)[S+](C)[O-])C=C1

InChI

InChIKey=KJSMCQZGOIBBGM-UHFFFAOYSA-N

InChI=1S/C20H27NO4S.ClH/c1-14(4-5-15-6-9-17(25-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)26(3)24;/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C20H27NO4S
Molecular Weight	377.498
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:23:50 UTC 2023` Edited by `admin` on `Fri Dec 15 15:23:50 UTC 2023`
Record UNII	1E0AQI279F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SULFINALOL HYDROCHLORIDE

Official Name

English

BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((3-(4-METHOXYPHENYL)-1-METHYLPROPYL)AMINO)METHYL)-3-(METHYLSULFINYL)-, HYDROCHLORIDE

Systematic Name

English

WIN 40808-7

Code

English

WIN-40808-7

Code

English

SULFINALOL HYDROCHLORIDE [USAN]

Common Name

English

4-HYDROXY-.ALPHA.-(((3-(P-METHOXYPHENYL)-1-METHYLPROPYL)AMINO)METHYL)-3-(METHYLSULFINYL)BENZYL ALCOHOL HYDROCHLORIDE

Common Name

English

SULFINALOL HYDROCHLORIDE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29576

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

Code System Code Type Description

MESH

C030225

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

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NCI_THESAURUS

C152462

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

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FDA UNII

1E0AQI279F

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

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CAS

63251-39-8

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

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ECHA (EC/EINECS)

264-046-5

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

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EPA CompTox

DTXSID50979297

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

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ChEMBL

CHEMBL424518

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

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PUBCHEM

44438

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

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MERCK INDEX

m1258

Created by admin on Fri Dec 15 15:23:50 UTC 2023 , Edited by admin on Fri Dec 15 15:23:50 UTC 2023

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Merck Index

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