Oxyprothepin mesylate

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H28N2OS2.CH4O3S
Molecular Weight	496.706
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CSC1=CC=C2SC3=CC=CC=C3CC(N4CCN(CCCO)CC4)C2=C1

InChI

InChIKey=SBLPVDLCAZOCIQ-UHFFFAOYSA-N

InChI=1S/C22H28N2OS2.CH4O3S/c1-26-18-7-8-22-19(16-18)20(15-17-5-2-3-6-21(17)27-22)24-12-10-23(11-13-24)9-4-14-25;1-5(2,3)4/h2-3,5-8,16,20,25H,4,9-15H2,1H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C22H28N2OS2
Molecular Weight	400.601
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:49:23 GMT 2023` Edited by `admin` on `Sat Dec 16 18:49:23 GMT 2023`
Record UNII	JT2MK2U89X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Oxyprothepin mesylate

Common Name

English

1-Piperazinepropanol, 4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-, methanesulfonate (1:1)

Systematic Name

English

Oxyprothepin mesilate

Common Name

English

1-Piperazinepropanol, 4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-, monomethanesulfonate (salt)

Systematic Name

English

Oxyprothepin mesilate [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

147576

Created by admin on Sat Dec 16 18:49:24 GMT 2023 , Edited by admin on Sat Dec 16 18:49:24 GMT 2023

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CAS

34775-83-2

Created by admin on Sat Dec 16 18:49:24 GMT 2023 , Edited by admin on Sat Dec 16 18:49:24 GMT 2023

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FDA UNII

JT2MK2U89X

Created by admin on Sat Dec 16 18:49:24 GMT 2023 , Edited by admin on Sat Dec 16 18:49:24 GMT 2023

PRIMARY

EPA CompTox

DTXSID60956256

Created by admin on Sat Dec 16 18:49:24 GMT 2023 , Edited by admin on Sat Dec 16 18:49:24 GMT 2023

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Related Record Type Details


					1J5DO0HUQR

OXYPROTHEPIN

PARENT -> SALT/SOLVATE

Amount: