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Rotigotine hydrochloride

Rotigotine hydrochloride structure

CAS No:
125572-93-2
Formula:
C19H25NOS.ClH
Chemical Name:
Rotigotine hydrochloride
Synonyms:
1-Naphthalenol,5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-,hydrochloride (1:1),(6S)-;1-Naphthalenol,5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-,hydrochloride,(S)-;1-Naphthalenol,5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-,hydrochloride,(6S)-;(-)-5,6,7,8-Tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthol hydrochloride;Rotigotine hydrochloride
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Rotigotine hydrochloride Basic Attributes

Molecular Weight：

351.93400

Exact Mass：

351.1423633 g/mol

EC Number：

603-080-0

UNII：

6Q1W9573L2

DSSTox ID：

DTXSID80154792

HScode：

2942000000

Characteristics

PSA：

51.71000

XLogP3：

5.06770

Appearance：

Almost white to white crystalline powder

Melting Point：

186.5-187.5ºC

Boiling Point：

471ºC

Flash Point：

238.1ºC

Vapor Pressure：

1.84E-09mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Drugs that bind to and activate dopamine receptors. (See all compounds classified as Dopamine Agonists.)

MeSH Entry Terms：

(+)-5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol

Computed Properties

Molecular Weight:351.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:351.1423633
Monoisotopic Mass:351.1423633
Topological Polar Surface Area:51.7
Heavy Atom Count:23
Complexity:337
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Rotigotine hydrochloride

CAS No.: 125572-93-2

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CAS No.: 125572-93-2

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