SB-269970 hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H28N2O3S.ClH
Molecular Weight	388.952
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C3=CC=CC(O)=C3)CC1

InChI

InChIKey=XQCJOYZLWFNDIO-PKLMIRHRSA-N

InChI=1S/C18H28N2O3S.ClH/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18;/h2,5-6,14-16,21H,3-4,7-13H2,1H3;1H/t16-;/m1./s1

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	C18H28N2O3S
Molecular Weight	352.492
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serotonin 7 (5-HT7) receptor 31 Target ID: CHEMBL3155 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12825922	Inverse Agonist 80		1.3 nM [Ki]
Serotonin 5a (5-HT5a) receptor 11 Target ID: CHEMBL3426 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12825922	Binding Agent 1064		65.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:21:35 GMT 2023` Edited by `admin` on `Sat Dec 16 19:21:35 GMT 2023`
Record UNII	DKP3XMW7KV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SB-269970 hydrochloride

Common Name

English

SB-269970A

Code

English

Phenol, 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]-, hydrochloride (1:1)

Systematic Name

English

Pyrrolidine, 1-[(3-hydroxyphenyl)sulfonyl]-2-[2-(4-methyl-1-piperidinyl)ethyl]-, monohydrochloride, (2R)-

Systematic Name

English

(R)-3-((2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol hydrochloride

Systematic Name

English

SB269970A

Code

English

SB269970 hydrochloride

Common Name

English

3-{[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl}phenol hydrochloride

Systematic Name

English

Code System Code Type Description

CAS

261901-57-9

Created by admin on Sat Dec 16 19:21:35 GMT 2023 , Edited by admin on Sat Dec 16 19:21:35 GMT 2023

PRIMARY

PUBCHEM

11957684

Created by admin on Sat Dec 16 19:21:35 GMT 2023 , Edited by admin on Sat Dec 16 19:21:35 GMT 2023

PRIMARY

FDA UNII

DKP3XMW7KV

Created by admin on Sat Dec 16 19:21:35 GMT 2023 , Edited by admin on Sat Dec 16 19:21:35 GMT 2023

PRIMARY

EPA CompTox

DTXSID501017392

Created by admin on Sat Dec 16 19:21:35 GMT 2023 , Edited by admin on Sat Dec 16 19:21:35 GMT 2023

PRIMARY

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					KC8KP5XU6F

SB-269970

PARENT -> SALT/SOLVATE

Amount: