Rotigotine hydrochloride, (±)-

Investigational

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H25NOS.ClH
Molecular Weight	351.934
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Rotigotine hydrochloride, (±)-

Structure Search

SMILES

Cl.CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O

InChI

InChIKey=CEXBONHIOKGWNU-UHFFFAOYSA-N

InChI=1S/C19H25NOS.ClH/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21;/h3-7,13,16,21H,2,8-12,14H2,1H3;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	C19H25NOS
Molecular Weight	315.473
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 20:22:11 GMT 2023` Edited by `admin` on `Sat Dec 16 20:22:11 GMT 2023`
Record UNII	2B3CRG6EJ2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Rotigotine hydrochloride, (±)-

Common Name

English

rac-Rotigotine Hydrochloride

Common Name

English

1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-, hydrochloride (1:1)

Systematic Name

English

1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-, hydrochloride

Systematic Name

English

6-((2-(1H-1lambda3-thiophen-2-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride

Systematic Name

English

(RS)-6-{Propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride

Systematic Name

English

Code System Code Type Description

FDA UNII

2B3CRG6EJ2

Created by admin on Sat Dec 16 20:22:11 GMT 2023 , Edited by admin on Sat Dec 16 20:22:11 GMT 2023

PRIMARY

PUBCHEM

6917969

Created by admin on Sat Dec 16 20:22:11 GMT 2023 , Edited by admin on Sat Dec 16 20:22:11 GMT 2023

PRIMARY

CAS

102120-99-0

Created by admin on Sat Dec 16 20:22:11 GMT 2023 , Edited by admin on Sat Dec 16 20:22:11 GMT 2023

PRIMARY

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