RS-39604 HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H36ClN3O6S.ClH
Molecular Weight	590.559
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC1=CC(OC)=CC(COC2=CC(N)=C(Cl)C=C2C(=O)CCC3CCN(CCNS(C)(=O)=O)CC3)=C1

InChI

InChIKey=QSMYZGMJSGUWPM-UHFFFAOYSA-N

InChI=1S/C26H36ClN3O6S.ClH/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33;/h12-16,18,29H,4-11,17,28H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula	C26H36ClN3O6S
Molecular Weight	554.099
Charge	0
Count

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

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serotonin 4 (5-HT4) receptor 39 Target ID: CHEMBL5017 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7582507	Antagonist 2778		9.1 null [pKi]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:56:54 GMT 2023` Edited by `admin` on `Sat Dec 16 08:56:54 GMT 2023`
Record UNII	22Z87M1U21
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RS-39604 HYDROCHLORIDE

Common Name

English

RS 39604 HYDROCHLORIDE

Common Name

English

METHANESULFONAMIDE, N-(2-(4-(3-(4-AMINO-5-CHLORO-2-((3,5-DIMETHOXYPHENYL)METHOXY)PHENYL)-3-OXOPROPYL)-1-PIPERIDINYL)ETHYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

167710-87-4

Created by admin on Sat Dec 16 08:56:54 GMT 2023 , Edited by admin on Sat Dec 16 08:56:54 GMT 2023

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PUBCHEM

19081934

Created by admin on Sat Dec 16 08:56:54 GMT 2023 , Edited by admin on Sat Dec 16 08:56:54 GMT 2023

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EPA CompTox

DTXSID5042619

Created by admin on Sat Dec 16 08:56:54 GMT 2023 , Edited by admin on Sat Dec 16 08:56:54 GMT 2023

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FDA UNII

22Z87M1U21

Created by admin on Sat Dec 16 08:56:54 GMT 2023 , Edited by admin on Sat Dec 16 08:56:54 GMT 2023

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Related Record Type Details


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RS-39604

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