RX-72601

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H26NO.Br
Molecular Weight	340.298
Optical Activity	( + / - )
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].C[N+]1(CCCC1)[C@H]2CCCC[C@H]2C3=CC(O)=CC=C3

InChI

InChIKey=QJPWMSTVMCFKMW-QJHJCNPRSA-N

InChI=1S/C17H25NO.BrH/c1-18(11-4-5-12-18)17-10-3-2-9-16(17)14-7-6-8-15(19)13-14;/h6-8,13,16-17H,2-5,9-12H2,1H3;1H/t16-,17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Br
Molecular Weight	79.904
Charge	-1
Count

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

Molecular Formula	C17H26NO
Molecular Weight	260.3944
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:48:54 GMT 2025` Edited by `admin` on `Wed Apr 02 19:48:54 GMT 2025`
Record UNII	VQM8KSW2YN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RX-72601

Code

English

RX 72601

Preferred Name

English

Pyrrolidinium, 1-[(1R,2R)-2-(3-hydroxyphenyl)cyclohexyl]-1-methyl-, bromide, rel-

Common Name

English

Pyrrolidinium, 1-[2-(3-hydroxyphenyl)cyclohexyl]-1-methyl-, bromide, cis-

Systematic Name

English

Code System Code Type Description

FDA UNII

VQM8KSW2YN

Created by admin on Wed Apr 02 19:48:54 GMT 2025 , Edited by admin on Wed Apr 02 19:48:54 GMT 2025

PRIMARY

EPA CompTox

DTXSID90965896

Created by admin on Wed Apr 02 19:48:54 GMT 2025 , Edited by admin on Wed Apr 02 19:48:54 GMT 2025

PRIMARY

CAS

51572-98-6

Created by admin on Wed Apr 02 19:48:54 GMT 2025 , Edited by admin on Wed Apr 02 19:48:54 GMT 2025

PRIMARY

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RX-72601 anion

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					8ENQ7B7VBU

RX-72601 anion

ACTIVE MOIETY

Amount: